Archive

The Horrifying Future of Scientific Communication

May 08, 2013

Planes, Trains, and Organic Syntheses

April 23, 2013

Free Access to ACS Publications and Why You Can't Have It (Yet)

April 17, 2013

A Third Failed Test of ACS Articles on Request and How to Help

March 27, 2013

A Second Failed Test of ACS Articles on Request

March 26, 2013

Chemical Structure Copy and Paste Problems

March 21, 2013

Chemists: How Do You Keep Current with the Literature?

March 14, 2013

Solving Organic Chemistry's Oldest Problem

March 11, 2013

Evernote as an Electronic Lab Notebook (ELN)

March 08, 2013

Copyright for Chemists: Promoting Reuse through Open Licensing

March 06, 2013

Copyright for Chemists: A Failed Test of ACS Articles on Request

March 04, 2013

Copyright for Chemists: How to Free Your Supporting Information

March 01, 2013

Copyright for Chemists

February 28, 2013

Anonymous Science and the Survival of BlogSyn

February 22, 2013

Chemists: What Has LinkedIn Done For You Lately?

January 08, 2013

The Manic Depressive Chemistry Jobs Market: A 24-Year Perspective

December 19, 2012

Reshoring Pharma Jobs

December 14, 2012

Ambassador for Chemistry?

December 10, 2012

How to Get a Job Like Mine

October 26, 2012

Follow the Money: American Chemical Society Expenses at a Glance

October 09, 2012

Follow the Money: American Chemical Society Income at a Glance

September 20, 2012

Which Programming Language Should I Learn as a Chemist?

June 12, 2012

Molfile and SD File Formats: Broken But Irreplaceable?

June 07, 2012

Reading (and Rendering) ChemDraw CDX Files in JavaScript

June 01, 2012

Why Organic Chemistry is Like Facebook

May 21, 2012

Balancing Chemical Equations in ReactionMate Part 1: More Than Meets the Eye

May 17, 2012

Why ACS Must Come Clean on Journal Publication Costs

March 14, 2012

Education of a Scientist

February 07, 2012

George Whitesides: The Concept of the Scientific Paper is Eroding Before Our Very Eyes

January 28, 2012

Five Things to Do Instead of Protesting the Research Works Act (HR 3699)

January 23, 2012

Digital Destruction in Scientific Publishing: Why This Scientist Supports the Research Works Act (HR 3699)

January 18, 2012

On the (F)utility of Extending the Molfile Format

January 11, 2012

IBM Donates Large Collection of Patent Chemical Structures to NIH/PubChem

December 15, 2011

Understanding the PyMOL User Interface

November 03, 2011

Install PyMOL on Mac OS X Snow Leopard

November 02, 2011

Install PyMOL on Windows

November 01, 2011

Install PyMOL on Ubuntu Linux

October 31, 2011

How To Render Chemical Structure Images in Web Pages Without A Server

October 26, 2011

An Introduction to Foldit

October 25, 2011

Easily Install PyMOL on Mac OSX

October 21, 2011

How to Validate CAS Registry Numbers in JavaScript

October 20, 2011

Display Inline SVG Using the <img> Tag

October 19, 2011

Similarity-Potency Trees

October 18, 2011

Mobile Technologies in Chemistry Session at Spring ACS Meeting in San Diego

October 17, 2011

Shoreline: A Google Closure Project Template

October 13, 2011

Sixty-Four Free Chemistry Databases

October 12, 2011

ACS v. Leadscope: Oral Arguments in Ohio Supreme Court [Video]

September 10, 2011

Learn WebGL by Building a 3D Molecule Viewer

March 16, 2011

Spex: Spectrum and Chromatogram Analysis for the Web Browser

March 08, 2011

Changes

February 14, 2011

Drugable.com: Web Software for Drug Discovery

February 09, 2011

ChemWriter on Chrome for Linux and Windows: Working Around the Chrome SVG Bug

February 08, 2011

Standardization in Lab Automation: The SiLA Consortium

February 07, 2011

Really Drug-Like Molecules

January 28, 2011

Reading and Writing the System Clipboard in JavaScript: Copy and Paste Molfiles in ChemWriter on Internet Explorer

January 24, 2011

Jmol Without Applets Using Websockets

January 19, 2011

PicoSpin and the Incredible Shrinking Lab

January 15, 2011

WebGL and What It Means for Chemistry

January 14, 2011

Ten Reasons to Use ChemWriter in Your Next Web Application

January 12, 2011

Working With OPSIN - Using Netbeans for a Maven Project

December 16, 2010

Plugging Into OPSIN - How to Synchronize Git and Mercurial Repositories

December 14, 2010

Open Source Name To Structure Conversion of IUPAC Nomenclature - OPSIN Revisited

December 13, 2010

Name That Graph Revealed - Crankshaft, JavaScript and the Coming Marketplace Disruption

December 09, 2010

Name That Graph

December 08, 2010

Just Add Points?

December 07, 2010

The Mysterious Google Chrome SVG Bug Revisited

December 06, 2010

200 Countries and 200 Years in 4 Minutes

December 04, 2010

The Mysterious Google Chrome SVG Bug

December 03, 2010

JavaScript Now Works - Keyboard, Mouse Focus, and Molfile Copy in ChemWriter

December 01, 2010

Atom Labels Now Available in ChemWriter 2

November 30, 2010

Google Closure - Synchronize the Closure Library SVN Using a Git Submodule

November 29, 2010

Inkspot Science - Pipeline Pilot for the Cloud?

November 24, 2010

Google Closure - Building Complex Applications with JavaScript

November 22, 2010

Building ChemWriter 2 - Pivotal Tracker for Project Management

November 19, 2010

ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

November 17, 2010

Jeux Sans Frontières

November 16, 2010

ChemWriter 2 Preview

November 09, 2010

ACS Versus Leadscope - Leadscope Tells Its Story in Court Document

November 04, 2010

The ACS Versus Leadscope Case

November 03, 2010

ChemCell - Easily Convert Names and CAS Numbers to Chemical Structures in Excel

November 01, 2010

The IE Team is (Finally) Serious about JavaScript and SVG

October 29, 2010

Predicting Synthetic Accessibility

October 28, 2010

Name That Graph

October 26, 2010

Cheminformatics Data Pipelining with KNIME - Creating a Custom Node for Generating InChIs and InChI Keys

October 22, 2010

How to Enable Exact Structure Search and Substructure Search for Your Chemical Database

October 20, 2010

The FDA Unique Ingredient Identifier (UNII)

October 19, 2010

A Lightweight and Portable Java Interface to InChI

October 18, 2010

Freeform Natural Laws from Experimental Data

October 16, 2010

Cheminformatics Data Pipelining with KNIME - Configuring a Node Developer Environment on Ubuntu Linux

October 14, 2010

The ACS Journal Publishing Agreement and the Other Path Forward

October 08, 2010

Software Downsizing

October 07, 2010

Node.js

October 02, 2010

A Brief Introduction to Lawson Numbers

September 28, 2010

Making Sense of the ChemDraw CDX File Format with CDXHexDumper

September 21, 2010

Reading and Translating ChemDraw CDX Files with OpenBabel

September 17, 2010

A Brief Introduction to the ChemDraw CDX File Format

September 13, 2010

Scrum in Under Ten Minutes

September 12, 2010

The Graph Traversal Programming Pattern

September 11, 2010

Goodbye Paper, Hello Mendeley

September 07, 2010

NoSQL is Web Scale [NSFW]

September 06, 2010

Google Does a Spinning Molecule Thingie

September 04, 2010

Chempedia Lab: Slides from Fall 2010 ACS Meeting in Boston

September 03, 2010

ChemWriter 2: Fall 2010 ACS Lightning Talk Slides and Ideas for Future Sessions

September 02, 2010

Visual Representation of Query Structures

August 31, 2010

Whyday and Putting Away Your Best Practices

August 18, 2010

Building ChemWriter 2 - See it in Person at the Fall 2010 ACS in Boston

August 16, 2010

ACS Appeals Leadscope Case to Ohio Supreme Court

August 13, 2010

Chemicalize: Instant Access to Structures on Arbitrary Web Pages

August 11, 2010

Building ChemWriter 2 - JavaScript All the Way Down

August 10, 2010

Mirroring PubChem the Easy Way with PubChem Fu

July 20, 2010

Rational, Self-Maximizing Actors

July 17, 2010

Symposium: Recent Progress in Chemical Structure Representation

July 14, 2010

The Elephant in the Room: Should Chemical Abstracts Service Become a For-Profit Company?

July 01, 2010

Help Us Solve a Mechanistic Mystery: Benzimidazole Formation using Sodium Metabisulfite

June 30, 2010

LinkedIn Forums, How Do I Despise Thee? Let Me Count The Ways

June 29, 2010

Latest CTFile Formats Specification Available Now from Symyx

June 28, 2010

1981 Time Capsule: The Future of Newspaper Publication

June 25, 2010

The Avalanche of Low-Quality Research?

June 24, 2010

What About Chempedia?

June 22, 2010

HTML 5, Mobile Devices, and Chemistry

June 18, 2010

What Goes Around Comes Around: University of California Threatens System-Wide Boycott of Nature Publishing Group

June 09, 2010

Chemical Inventory Systems: Cheminformatics' Problem Child?

June 08, 2010

Gigabytes of Chemical Information - Now Free for Download

June 03, 2010

Chemistry Has a Long Tail - Deal With It

June 01, 2010

How To Kill the DOI System

May 21, 2010

Two Chemistry Apps for Mobile Devices

May 19, 2010

Cheminformatics in JavaScript: JChemHub

May 17, 2010

Chemvoice: Making It a Little Easier to Be a Great Chemist

May 12, 2010

Awesome People: Andrew Warner

May 07, 2010

Crazy Idea #443: Structure-Activity Relationship Studies Done Through Paid Crowdsourcing

May 06, 2010

Wise People

May 01, 2010

Practical Chemistry on the Web

April 20, 2010

The Scientist's Dilemma

April 19, 2010

Wiley DOI Fail

April 15, 2010

Wanted: A Few Good Chemists

April 08, 2010

InChI 1.03 Prerelease

April 02, 2010

One-Stop Shopping for Chemistry Journal RSS and Atom Feeds

April 01, 2010

Why Most Chemists (Still) Don't Use RSS and Why You Should Care

March 30, 2010

Game Mechanics in Science: You're Soaking in Them

March 26, 2010

Chempedia: A Social Medium for Chemical Information - Wrapup

March 25, 2010

Chempedia at the Spring ACS

March 20, 2010

Jeux Sans Frontieres

March 18, 2010

The Culture of Chemistry: Asking Questions in Public Considered Harmful?

March 16, 2010

Smaller, Cheaper, More Powerful

March 12, 2010

Significant InChI Issue: Two Different InChIs from the Same Molecule

March 11, 2010

Why is Chempedia Lab Failing?

March 09, 2010

What's the Difference Between an ELN and a LIMS?

March 05, 2010

Big Data in Chemistry: Incrementally Mirror PubChem the Easy Way

March 01, 2010

Second Call For Papers: Recent Advances in Chemical Structure Representation

February 24, 2010

Note to Journal Publishers: Forget About Bling and Focus on Content

February 17, 2010

Quote of the Week: Print References

February 11, 2010

Everything Old is New Again: WLN in PubChem

February 10, 2010

Big Data in Chemistry: Mirroring PubChem the Easy Way Part 2

February 09, 2010

Big Data in Chemistry: Mirroring PubChem the Easy Way

February 08, 2010

I Dare You: Ask Your Toughest Experimental Chemistry Question on Chempedia Lab

February 06, 2010

PubCouch: Create Your Own Custom PubChem Subset

February 04, 2010

PubCouch - Streams Aren't Just for Pipeline Pilot

January 29, 2010

PubCouch: Install CouchDB on Ubuntu Karmic From Source

January 28, 2010

PubCouch: A CouchDB Interface to PubChem

January 20, 2010

The Future of PyMOL

January 14, 2010

MX Snippets Part 1: Generate Molecular Fingerprints From the Command Line

January 11, 2010

StructureDB - A Profiling Session

January 08, 2010

Talking About Chempedia and the Future of Scientific Communication

January 06, 2010

Out With the Old (Or At Least The Stuff That Prevents Progress)

January 05, 2010

The Warren L. DeLano Memorial Award for Computational Biosciences

December 16, 2009

Pinpoint Performance Problems with Google Speed Tracer

December 09, 2009

JavaScript Survival: Screw.Unit

November 23, 2009

Casting a Wide Net in Cheminformatics

November 18, 2009

Tech Fridays: Cloud Computing (in Plain English)

November 13, 2009

Chempedia Data Downloads: Free as in Free

November 10, 2009

A Clean, Well-Lit Place for Spectra

November 09, 2009

Warren DeLano

November 06, 2009

Building Chempedia - A RESTful Web API for Chemical Information

November 04, 2009

Building Chempedia: Global Substance Identifiers (GSIDs) and Search Engines Play Nice Together

November 02, 2009

Indigo: Open Source Cheminformatics for C++ and .Net

October 29, 2009

Chempedia Launch Day Wrapup

October 29, 2009

Welcome to Chempedia!

October 28, 2009

Building Chempedia: Heroku, DNS, and Propagation

October 28, 2009

Avogadro 1.0

October 24, 2009

Tech Fridays: The Web That Wasn't

October 23, 2009

Chempedia: A Social Medium for Chemical Information

October 22, 2009

Building Chempedia - Heroku Deployment First Impressions

October 20, 2009

Tech Fridays: Galaxy Zoo

October 16, 2009

The SMILES Antipattern

October 14, 2009

The Future of Scientific Publication - Role Reversal Ahead

October 13, 2009

Tech Fridays: Google Web Toolkit

October 09, 2009

Building Chempedia: Deployment with Heroku and EC2

October 08, 2009

Last Chance to Win a ChemWriter Domain License

October 07, 2009

Drug Discovery on the Web

October 07, 2009

Tech Fridays: Deploying Rails and Rack Applications with Heroku

October 02, 2009

REST Tip: Use JSONView for In-Browser JSON Syntax Highlighting

October 01, 2009

Is the Electronic Laboratory Notebook Doomed?

September 30, 2009

A RESTful Interface for Toxicity Prediction

September 29, 2009

Win a Free ChemWriter License for Your Site

September 25, 2009

Tech Fridays: Google Chrome Frame

September 25, 2009

Sixty-Four Free Chemistry Databases - Thirty and Counting

September 24, 2009

Reverse Auction for Specialty Chemicals

September 24, 2009

Casual Saturdays: Optimistic Design

September 19, 2009

Tech Fridays: PubSubHubbub

September 18, 2009

Stereochemistry Puzzler: Answers

September 17, 2009

Stereochemistry Puzzler: How Many Stereoisomers for These 69 Structures?

September 16, 2009

Stereoisomer Generation

September 15, 2009

Casual Saturdays: Extreme Testing

September 12, 2009

Tech Fridays: JavaScript - The Good Parts

September 11, 2009

The RESTful Chemical Tracking System Part 5 - Media Types

September 10, 2009

Tech Fridays: Titanium Mobile and the Electronic Laboratory Notebook Usability Problem

September 04, 2009

RESTful Cheminformatics Web Services in PHP and Ruby: Two Chemcaster Clients

August 31, 2009

The RESTful Chemical Tracking System Part 4 - Resources, Representations, Hypertext, and JSON

August 28, 2009

The RESTful Chemical Tracking System Part 3 - Resource Associations

August 21, 2009

Human Computing

August 19, 2009

The RESTful Chemical Tracking System Part 2 - Resources

August 14, 2009

The RESTful Chemical Tracking System Part 1 - Introduction

August 07, 2009

RESTful Web Services, Hypermedia, and (Robot) Scientists

July 31, 2009

Chemical Information and Marketing

July 21, 2009

Molecular Modeling for Average Joes

July 14, 2009

Sixty-Four Free Chemistry Databases - Twenty and Counting

July 13, 2009

Casual Saturdays: Never Assume

July 11, 2009

Linked Chemical Data @ Google TechTalks

July 10, 2009

Graph Databases and Cheminformatics - Neo4j

July 08, 2009

Chemcaster - The REST Web API for Cheminformatics

July 06, 2009

Seventeen GitHub Accounts to Watch in Cheminformatics

July 03, 2009

MX-1.0 Beta 2

July 02, 2009

Dear Lazyweb: Does Jmol Support Output for Use with 3D Glasses?

July 02, 2009

Hashing and the Universal Molecular Identifier

June 30, 2009

Always Be Testing: Using Mockito in MX

June 29, 2009

Casual Saturdays: Bird's Eye

June 27, 2009

Porting MX - CDK-Compatible VF Implementation

June 26, 2009

Innovation: What Thinking Outside the Box Actually Means

June 25, 2009

3D Molecular Visualization with Avogadro

June 24, 2009

Casual Saturdays - Turtles All The Way Down

June 20, 2009

Open Source Cheminformatics Tools and Data

June 19, 2009

Quick MX Update - Extensible Fingerprints and Hydrogen-Blocked Substructure Queries

June 18, 2009

Beginning of the End for ACS Journal Print Editions

June 17, 2009

If the Wheel Doesn't Work, Reinvent it

June 16, 2009

Nifty GitHub Features: Integrated Issue Tracking

June 15, 2009

Casual Saturdays: Linked Data

June 14, 2009

MX-1.0 Beta 1

June 12, 2009

Dark Corners of the Molfile Specification - Sgroups and Substructure Abbreviations

June 10, 2009

Small Libraries and GitHub: Applet-Fu

June 08, 2009

On This Day In Organic Chemistry, 1874

June 04, 2009

RESTful Substructure Search

June 03, 2009

Painless Source Code Highlighting with Prettify

May 28, 2009

Name That Graph Revealed: Comments, Peer-Review, and the Web

May 27, 2009

Name That Graph

May 26, 2009

Still More Free Chemistry Databases and Web Services

May 22, 2009

Forking ONS Challenge Solubility Code on GitHub

May 21, 2009

Downloadable eMolecules Datasets

May 20, 2009

Five Reasons Why Chemical Societies Need Free Databases and Web Services

May 15, 2009

Casual Saturdays: Repurpose

May 09, 2009

Updating Ruby CDK

May 07, 2009

Science Doesn't Need Journals

May 04, 2009

Building Chemistry Communities

May 01, 2009

Learning from StackOverflow: Building Chemistry Communities

April 30, 2009

Scientific Blogging - Ignore It and Be Ignored?

April 28, 2009

Casual Saturdays: Correlation

April 25, 2009

The First InChIKey Collision

April 24, 2009

CouchDB for Chemistry

April 22, 2009

Casual Saturdays: The Thin Line Between Crackpot and Genius

April 19, 2009

Antisocial Journals

April 15, 2009

Chemical Markup Language and Ferrocene Part 2 - Cyclopentadienyl Anion

April 13, 2009

Why Chemical Abstracts Service Might Not Want To Use InChI

April 10, 2009

Chemical Markup Language and Ferrocene Part 1: Chem4Word and Breaking with the Past

April 09, 2009

Getting Real With Electronic Laboratory Notebooks - mylims.org

April 07, 2009

Cheminformatics in Any Language with MX Part 1 - Scala

April 02, 2009

ACS To Suspend Print Publication of All Journals

April 01, 2009

A Comprehensive Guide FlexMol, A Modern Language for Chemical Representation Part 2: Real-World Problems

March 27, 2009

Sixty-Four Free Chemistry Databases - Five and Counting...

March 25, 2009

Casual Saturdays: Building Blocks

March 21, 2009

Cheminformatics, Crowds, and Cha-Ching

March 20, 2009

A Comprehensive Guide FlexMol, A Modern Language for Chemical Representation Part 1: Outlining the Problem

March 19, 2009

Cheminformatics in the Popular Press: The Long Tail of Structural Scaffolds

March 16, 2009

Casual Saturdays: Twittervision

March 14, 2009

What's Up With Chempedia?

March 11, 2009

Sixty-Four Free Chemistry Databases

March 09, 2009

Casual Saturdays: What's Phase 2?

March 07, 2009

Interconvert Database Formats in Rails with YamlDB

March 06, 2009

Substructure Search Idoms: Hydrogen Means Block Substitution

March 05, 2009

The Bikeshed Effect

March 04, 2009

$299 ChemWriter Domain Licenses During March

March 03, 2009

Broken Business Models and Bailouts

March 02, 2009

Cheminformatics and Micropublication in Chemistry

February 27, 2009

What the Heck is RDF?

February 26, 2009

What the Heck is the Semantic Web?

February 25, 2009

Zusammen: The Other Half of the Story

February 24, 2009

Casual Saturdays: The Lazy Path to Enlightenment

February 21, 2009

ChemVendor: The Web-Based, Chemically-Enabled Product Management System

February 19, 2009

MX at Work: Building a Pure JavaScript Chemical Structure Editor

February 16, 2009

Casual Saturdays: Popular Belief

February 14, 2009

Chemical Substructure Search in SQL

February 12, 2009

Chemical Informatics Guys Don't Get It

February 09, 2009

Of Web-Centric Science, Telegraphs, and Telephones

February 07, 2009

Web-Centric Science

February 04, 2009

Scaling Up Scientific Conversation

January 29, 2009

GitHub for Chemistry: Revision Controlled Datasets?

January 23, 2009

MX Performance Comparison #3: Substructure Search in MX and CDK

January 22, 2009

MX Performance Comparison #2: Exhaustive Ring Perception in MX and CDK

January 21, 2009

Open Benchmarks for Cheminformatics: First Performance Comparison Between CDK and MX

January 20, 2009

Casual Saturdays: Bobby Tables

January 17, 2009

Build a RESTful Chemical Registration System from Scratch Part 1 - Tools of the Trade

January 15, 2009

Open Benchmarks for Cheminformatics: Working with Japex

January 14, 2009

Merb on JRuby

January 09, 2009

Exhaustive Ring Perception With MX

January 08, 2009

JavaScript for Cheminformatics - Cross-Compiling Java to JavaScript with GWT Revisited

January 06, 2009

The Electronic Laboratory Notebook Trap

January 02, 2009

Scientific Journal to Require Wikipedia Summary Page of New Research Articles

December 18, 2008

Exhaustive Ring Perception

December 16, 2008

Reading and Writing SD Files With MX

December 15, 2008

JavaScript for Cheminformatics - Calculate Molecular Mass in Your Browser Without Applets, Flash, or Other Plugins

December 11, 2008

Mr. InChI - Tear Down This Wall

December 10, 2008

JavaScript for Cheminformatics - Cross-Compiling Java to JavaScript with GWT

December 09, 2008

Calculating Molecular Mass With MX - Using a Complete Hydrogen to Uranium System of Atomic Masses Linked to the Primary Literature

December 08, 2008

Killer GitHub Feature: Visualizing Branch/Merge Activity in MX

December 06, 2008

Open Benchmarks for Cheminformatics

December 05, 2008

Choose Java for Speed

December 04, 2008

Reading SMILES with MX

December 03, 2008

Five Questions About the InChI Resolver

December 02, 2008

Open Source Cheminformatics in Python with MX

December 01, 2008

Flexible Depth-First Search With MX

November 26, 2008

Goodbye Subversion, Hello Git and GitHub

November 25, 2008

Getting Started with MX

November 24, 2008

Casual Saturdays: Complexity

November 22, 2008

Introducing MX - Lightweight and Free Cheminformatics Tools for Java

November 21, 2008

ChemPhoto Beta-2

November 21, 2008

SciFinder Web, Greasemonkey, and REST - Embracing Divergence in Chemical Information Systems

November 19, 2008

Substructure Search From Scratch in Java Part 1 - The Atom Mapping Problem

November 17, 2008

One of These Things is Not Like The Others

November 13, 2008

Casual Saturdays: Business Plan

November 08, 2008

Building ChemWriter - What to Do When Requesting Applet Keyboard Focus Leads to Disappearing Popup Windows

November 06, 2008

Billions and Billions

November 03, 2008

A Simple Vector Graphics API for Chemical Structure Output Part 1 - In Search of a Simplifying Approach for ChemPhoto

October 31, 2008

Fast Substructure Search Using Open Source Tools Part 6 - Modelling a One-To-Many Relationship Between Fingerprints and Compounds in Ruby

October 29, 2008

ChemPhoto Beta-1 Now Available

October 24, 2008

Flying Coach

October 22, 2008

Fast Substructure Search Using Open Source Tools Part 5 - Relating Molecules to Fingerprints with SQL

October 21, 2008

Fingerprints and Atom-By-Atom Searches in Highly-Represented Substructure Queries

October 17, 2008

Fast Substructure Search Using Open Source Tools Part 4 - Creating Fingerprints from Chemical Structures

October 15, 2008

PubChem WTF #1

October 11, 2008

Casual Saturdays: Shoulders of Giants

October 11, 2008

Fast Substructure Search Using Open Source Tools Part 3 - A CRUD API for Fingerprints in Ruby

October 06, 2008

Fast Substructure Search Using Open Source Tools Part 2 - Fingerprint Screen With SQL

October 03, 2008

Name That Graph

October 02, 2008

Fast Substructure Search Using Open Source Tools Part 1 - Fingerprints and Databases

October 02, 2008

Recombining Compressed PubChem SD Files with Open Babel

October 01, 2008

Install Open Babel Into Your Home Directory - You Don't Need Root

September 29, 2008

Quoted in The Scientist: What Finding a Job Has To Do With the Future of Scientific Publication

September 26, 2008

New Cheminformatics Blog: So Much To Do, So Little Time

September 24, 2008

What Good is a Scientific Blog?

September 23, 2008

Don't Let the Sideshow Distract You: H.R. 6845 and What Comes After

September 20, 2008

Casual Saturdays: Blind Trust

September 20, 2008

Crazy Idea #6,349: JavaScript in PDF

September 18, 2008

Because Mistakes Happen: Giving ChemPhoto Some Poka-yoke

September 17, 2008

Stack Overflow - Technical Discussion Forums and Modern Chemistry

September 16, 2008

Book Review - Practical Prototype and script.aculo.us

September 15, 2008

Casual Saturdays: Balkanization

September 13, 2008

Your Favorite Chemical Spreadsheet

September 12, 2008

Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

September 11, 2008

ChemPhoto Screenshots: Appearance of Structures and Browsing Large Collections

September 10, 2008

Smarter Cheminformatics - From SD File to Image Collection with ChemPhoto

September 08, 2008

Chrome and a V8: JavaScript Takes a Giant Leap Forward?

September 05, 2008

Google Chrome: Rethinking the Browser - as an Operating System

September 02, 2008

JavaScript for Cheminformatics - Atom Typing with Prototype and Iterators

August 28, 2008

JavaScript for Cheminformatics - Using the Prototype Framework

August 26, 2008

Adobe Flash for Cheminformatics: Chemul, a 3D Structure Viewer

August 14, 2008

Encapsulated PostScript for Cheminformatics

August 07, 2008

Casual Saturdays: There is No Shelf

August 02, 2008

Grand Challenges in Cheminformatics

July 31, 2008

Eight Talks I'd Like to See in Philadelphia

July 30, 2008

Casual Saturdays: Mundaneum

July 26, 2008

Building WebSpex - Putting Custom Data Types In Their Place

July 24, 2008

Validating CAS Numbers

July 23, 2008

Vector Markup Language for Cheminformatics

July 22, 2008

JavaScript for Cheminformatics: An Introduction to WebSpex, a Spectroscopy Tool for the Internet

July 17, 2008

JavaScript for Cheminformatics

July 15, 2008

Casual Saturdays: Kinetic Sculpture

July 12, 2008

3D Molecule Viewer on the iPhone

July 11, 2008

Extending InChI Stereochemistry

July 09, 2008

Scientific Commons: Cleaning Up Science's Basement

July 08, 2008

Casual Saturdays: How Important is Science Education?

July 05, 2008

Open Babel 2.2.0

July 04, 2008

Building Chempedia: Learning About Contributors

July 02, 2008

ChemWriter 1.3.1

June 30, 2008

GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

June 27, 2008

3D Molecular Visualization on the Web: OpenAstexViewer

June 19, 2008

Screencast: Drawing Structures Quickly With ChemWriter

June 18, 2008

Better Structure Drawing With ChemWriter 1.3.0

June 16, 2008

Casual Saturdays: A Thousand Years of Darkness

June 14, 2008

Extreme Data Visualization

June 13, 2008

Chemistry, The Web, and Netflix

June 11, 2008

Adobe Flash for Cheminformatics - Fast, Scalable, and Attractive 2D Depiction of Chemical Structures with Vector Graphics

June 10, 2008

Casual Saturdays: Google AppEngine

June 07, 2008

The Other Vector Graphics Markup Language

June 06, 2008

ACS Responds to Request For Information on the New NIH Public Access Policy

June 03, 2008

A Simple and Portable Ruby Interface to InChI Part 2 - Silencing Console Output

May 30, 2008

A Simple and Portable Ruby Interface to InChI

May 29, 2008

Simple CAS Number Lookup (and More) with Chempedia

May 26, 2008

Small Molecule 3D Coordinates From PubChem

May 23, 2008

Building Chempedia: Social Networking Applied to Chemistry

May 21, 2008

Free Web-Based Proton NMR Prediction and Assignment with NMRDB

May 20, 2008

Building Chempedia - Resizable Structures With ChemWriter

May 19, 2008

Casual Saturdays: Thinking Inside the Box

May 17, 2008

Building Chempedia: The Human Element

May 15, 2008

The Daily Molecule: The Wonders of Chemistry - One Molecule at a Time

May 14, 2008

Building Chempedia - Start Simple, Then Iterate

May 13, 2008

The Economics of Free: Chris Anderson on Charlie Rose

May 10, 2008

Building a Unique Chemistry Journal - Responses to Questions from Nature Chemistry

May 08, 2008

1908 and All That: The Long Tail and Chemistry

May 07, 2008

Hacking DOI - Interconvert Bibliographic References and DOIs with CrossRef and OpenURL

May 06, 2008

Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

May 01, 2008

Just a Flesh Wound

April 30, 2008

Building Chempedia - Indexing Wikipedia's 6,411 Compound Monographs

April 28, 2008

Solve Web Application Scaling Problems With Signed Applets

April 25, 2008

CampDepict: Building a Simple SMILES Depict Web Application With JRuby, Structure CDK, and Camping

April 23, 2008

Thinking of Founding a Science Startup? Look to What's Getting Cheaper

April 22, 2008

Building a Technology Company the Old-Fashioned Way

April 21, 2008

Is reCAPTCHA Trying to Tell Me Something?

April 18, 2008

User-Created Compound Monographs on Chempedia.net - Open Sourcing the Collation and Indexing of Chemical Information

April 17, 2008

Yet Another Free Chemistry Database: Pherobase

April 15, 2008

ACS and the NIH Public Access Policy - Clarification at Last

April 10, 2008

Chempedia.net - Mashing Up PubChem and Wikipedia

April 04, 2008

Wikipedia for Cheminformatics - A Simple Web API for Finding CAS Numbers in Compound Monographs

April 02, 2008

Casual Saturdays: Periodicity is Just a Theory

March 29, 2008

ACS Loses $27 Million Case Against Leadscope

March 28, 2008

NetBeans 6, Ruby, and Rails: A Surprisingly Effective Combination

March 27, 2008

Five Open Tools for 2D Structure Layout (aka Structure Diagram Generation)

March 26, 2008

Open Access: Think Globally, Act Locally

March 24, 2008

NIH Hears Publisher Feedback on Open Access Mandate

March 21, 2008

Cheminformatics Puzzler #1

March 20, 2008

Startup School 2008 at Stanford

March 19, 2008

Crunch Time - Can NIH Grant Recipients Still Publish in ACS Journals?

March 18, 2008

Demystifying Java Applets Part 3 - Failing Gracefully When Your Users Don't Have Java

March 12, 2008

Demystifying Java Applets Part 2 - DRY Deployment with the Javay Method

March 10, 2008

Casual Saturdays: When Broken is a Way of Life

February 23, 2008

Demystifying Java Applets, Part 1 - Cross-Browser, Standards-Compliant, Pure HTML Deployment Using the Object Tag

February 20, 2008

How Would Your Cheminformatics Tool Do This?

February 18, 2008

Casual Saturdays: APOD

February 16, 2008

The Art and Science of Chemical Structure Diagrams - ChemWriter as Chemically-Aware Vector Graphics System

February 14, 2008

The Art and Science of Chemical Structure Diagrams: Double Trouble

February 12, 2008

Swing Sightings: SciFinder Web Version

February 11, 2008

Casual Saturdays: Steampunk

February 09, 2008

The Paper Laboratory Notebook: Chemistry's Most Ancient Data Tomb

February 08, 2008

Testing Automatic Chemical Structure Recognition with OSRA

February 07, 2008

The Chemically-Enabled User Interface: An Introduction to Leafcutter

February 06, 2008

How Would Your Cheminformatics Tool Do This?

February 05, 2008

Raiding Chemistry's Data Tombs

February 04, 2008

Casual Saturdays: Nano

February 02, 2008

Hacking JSpecView - Enhancing the User Interface

February 01, 2008

Molecule of the Day: Carminic Acid

January 31, 2008

The Quiet Revolution in Scientific Peer-Review: An Introduction to Research Blogging

January 30, 2008

Filthy Rich Clients

January 29, 2008

Hacking JSpecView - Creating an HTML Test Harness

January 28, 2008

Casual Saturdays: Pareidolia

January 26, 2008

How Would Your Cheminformatics Tool Do This?

January 25, 2008

Swing Sightings: LigandScout

January 24, 2008

Hacking JSpecView - Getting Organized with Ant

January 23, 2008

An Introduction to JSpecView

January 22, 2008

The New Scientific Publishers

January 21, 2008

Casual Saturdays: Verge

January 19, 2008

How Would Your Cheminformatics Tool Do This?

January 18, 2008

Chemistry's Oldies but Goodies - Direct to Your Desktop

January 17, 2008

Swing Sightings: Chenomx NMR Suite

January 16, 2008

Science Blogging Anthology Now in Print

January 15, 2008

ChemWriter Now Available for Download

January 14, 2008

Casual Saturdays: Nanosolar

January 12, 2008

My Favorite Eclipse Shortcut - Quick Fix

January 11, 2008

Subscribe to Depth-First by Email

January 10, 2008

How Would Your Cheminformatics Tool Do This?

January 10, 2008

The Fundamental Cheminformatics Toolset

January 08, 2008

Depth-First Article to Appear in Science Blogging Anthology

January 07, 2008

A New Beginning or More of the Same?

December 27, 2007

If You Want to Change the World, Build the Tool First - Part 2

December 20, 2007

If You Want to Change the World, Build the Tool First - Part 1

December 18, 2007

How Would Your Cheminformatics Tool Do This?

December 17, 2007

Casual Saturdays: Entrepreneurship

December 15, 2007

Security and the Online Chemical Catalog

December 13, 2007

Simple 3D Conformer Generation with Smi23D

December 12, 2007

How Would Your Cheminformatics Tool Do This?

December 11, 2007

Run Babel Anywhere Java Runs with JBabel

December 10, 2007

Casual Saturdays: Daybreak

December 08, 2007

Forty-Eight Free QSAR Datasets (and More)

December 06, 2007

How Would Your Cheminformatics Tool Do This?

December 05, 2007

Signal to Noise and the Chemistry Blog

December 04, 2007

From C Source Code to Platform-Independent Executable Jarfile - Using NestedVM to Build JInChI

December 03, 2007

Casual Saturdays: Perspective

December 01, 2007

How Would Your Cheminformatics Tool Do This?

November 30, 2007

How Would Your Cheminformatics Tool Do This?

November 29, 2007

SMILES and Aromaticity: Broken?

November 28, 2007

ChemWriter, Chemical Structures, and the Web

November 27, 2007

Compiling Open Babel to Pure Java Bytecode with NestedVM - Building A Runnable Classfile that Almost Works

November 26, 2007

Casual Saturdays: Hackintosh

November 24, 2007

How Would Your Cheminformatics Tool Do This?

November 23, 2007

Simple Installation of Rubidium

November 21, 2007

Write Once, Run Anywhere: Simplifying Java Applet Deployment

November 20, 2007

Compiling Open Babel to Pure Java Bytecode with NestedVM - An Unsuccessful First Attempt

November 19, 2007

Casual Saturdays: Cynical Dreamer

November 17, 2007

Why Web Development is Hard

November 16, 2007

PerlMol: A Case Study in Open Source Cheminformatics Software

November 15, 2007

Making the Case: OpenSMILES

November 14, 2007

Create Your Own PubChem Datasets - Exporting Results As SD Files

November 13, 2007

Parsing SD Files with Ruby and Rubidium

November 12, 2007

Casual Saturdays: How Television Works

November 10, 2007

The Business Case for Open Source and the Small Company

November 09, 2007

How Would Your Cheminformatics Tool Do This?

November 08, 2007

Paginated Archives in Radiant CMS: The Power of Minimal But Extendable Systems

November 07, 2007

Cheminformatics for Ruby - Getting Started with Rubidium

November 06, 2007

How Would Your Cheminformatics Tool Do This?

November 05, 2007

Casual Saturdays: Wikipedia in 2001

November 03, 2007

Eolas and jActivating - Working Around a Workaround

November 02, 2007

How Would Your Cheminformatics Tool Do This?

November 01, 2007

JInChI - Run InChI Anywhere Java Runs

October 31, 2007

How Would Your Cheminformatics Tool Do This?

October 30, 2007

Compiling the InChI Toolkit to Pure Java Bytecode with NestedVM

October 29, 2007

Casual Saturdays: The Four Elements

October 27, 2007

Building Rubidium - Creating a RubyForge Project Space

October 26, 2007

Casual Saturdays: Vishnu

October 20, 2007

Easily Convert IUPAC Nomenclature to SMILES, InChI, or Molfile with Rubidium

October 19, 2007

How Would Your Cheminformatics Tool Do This?

October 17, 2007

Yet Another Free Chemistry Database: Sigma-Aldrich Reaction Search

October 16, 2007

An Introduction to the Rubidium Cheminforamtics Toolkit - Interconvert SMILES, InChI, and Molfile with an Open Babel-Like Interface

October 15, 2007

Casual Saturdays: Argument Clinic

October 13, 2007

JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

October 12, 2007

Open Access Business Models That Can Actually Work - Sigma-Aldrich's ChemBlogs

October 11, 2007

How Would Your Cheminformatics Tool Do This?

October 11, 2007

JRuby for Cheminformatics - Reading and Writing InChIs Via the Java Native Interface

October 10, 2007

JRuby for Cheminformatics - Parsing SMILES Simply

October 09, 2007

Five Reasons to Start Using JRuby Now

October 08, 2007

Casual Saturdays: Truthiness

October 06, 2007

What Makes Wikipedia Tick?

October 05, 2007

Ruby CDK for Newbies

October 04, 2007

Designing the Obvious: Permalinks and Paradigms

October 03, 2007

Can Your Cheminformatics Tool Do This?

October 02, 2007

Streamlining Cheminformatics on the Web - Let InChI Do the Heavy Lifting and Get Some REST

October 01, 2007

Casual Saturdays: Wwwwwipeout

September 29, 2007

Designing the Obvious

September 28, 2007

InChI for Newbies

September 27, 2007

PubChem for Newbies

September 26, 2007

Hacking PubChem - Visually Inspect Results for CAS Number and Keyword Searches

September 25, 2007

Building the Chemically-Aware Web - TotallySynthetic and InChIMatic

September 24, 2007

Casual Saturdays: M.C. Escher in Legos

September 22, 2007

Taming the Wild Things

September 21, 2007

Ruby CDK One-Liners - Create a Molfile With 2D Atom Coordinates From Arbitrary SMILES Strings

September 20, 2007

Easily Calculate TPSA Descriptors from SMILES Strings Using Ruby CDK

September 19, 2007

Six Reasons I Like reCAPTCHA, or How to Build a Web Service Worth Talking About

September 18, 2007

Hacking ChemSpider - Query by SMILES and InChI with Ruby

September 17, 2007

Casual Saturdays: On Conformity

September 15, 2007

Name That Graph

September 14, 2007

Hacking PubChem - Convert CAS Numbers into PubChem CIDs with Ruby

September 13, 2007

The Forward Pass Has Been Legalized - Will You Use It?

September 12, 2007

OwnTerms: Legal Templates for the Rest of Us

September 11, 2007

Rethinking Chemistry Publications - Nature Protocols Makes the Experimental Section a First-Class Citizen

September 10, 2007

Casual Saturdays: Pretty Cool, Huh?

September 08, 2007

Science Meets YouTube: Embedded JoVE Videos

September 07, 2007

From InChI to Image with Ruby Open Babel and Ruby CDK

September 06, 2007

Name That Graph Revealed - Oligarchy 2.0

September 05, 2007

Modern Approaches to Data Visualization

September 04, 2007

Fighting Spam on the Cheap with CAPTCHA - A Simple Ruby Library for captchas.net

September 03, 2007

Fighting Comment Spam on the Cheap with CAPTCHA

September 01, 2007

Cheminformatics in Korean: An Example of Scientific Self-Organization

August 31, 2007

Name That Graph

August 30, 2007

Never Draw the Same Molecule Twice - Writing PNG Image Metadata with Python

August 29, 2007

From The Acs Exposition Aureus Turns Published Biological Screening Data Into Information

August 29, 2007

ScienceHack: YouTube Meets Chemistry

August 28, 2007

The Long Tail and Chemistry - Why So Many ACS Meeting Talks are 'Uninteresting'

August 27, 2007

Thinking of Starting an Anonymous Science Blog? Five Reasons to Think Again

August 17, 2007

Five Ways to Use PubChem Right Now

August 16, 2007

Googling for Molecules with InChIMatic and Firefly

August 15, 2007

Java Interface to PubChem's Power User Gateway

August 14, 2007

The Best API May Be No API At All - PubChem and PDB

August 13, 2007

James Gosling Unplugged

August 10, 2007

Ten Things That Surprised Me About Blogging

August 09, 2007

Never Draw the Same Molecule Twice: Viewing Image Metadata

August 08, 2007

Yale University Libraries Cancel BioMed Central Membership in the Face of Spiraling Costs

August 07, 2007

Name That Graph

August 07, 2007

The Best 55 Online Periodic Tables

August 06, 2007

Advice to Job-Seekers from C&E News - Blog Thyself

August 03, 2007

Never Draw the Same Molecule Twice: Image Metadata for Cheminformatics

August 01, 2007

Conversations with James

July 31, 2007

Editable and Searchable 2D Molecular Images

July 30, 2007

The Journal Deadpool: Failing Business Models and Sick Markets in Scientific Publishing?

July 27, 2007

Top Ten Best-Selling Drugs Worldwide (2006)

July 25, 2007

Everything Old is New Again - Wiswesser Line Notation (WLN)

July 20, 2007

Building a Molecule Preview with Firefly - The Joy of Swing

July 18, 2007

Go West, Young Man - Does Open Access Really Matter in the Long Run?

July 16, 2007

Making Your 2D Structures Look Good: Firefly, Styles and Stylesheets

July 13, 2007

Waldorf Salad

July 11, 2007

Yet Another Free Chemistry Database: Heterocycles Web Edition

July 06, 2007

PubChem is a Platform

July 04, 2007

Manage Your Bibliography with Firefox and Zotero

July 03, 2007

Starting, Quitting, and Finishing

June 29, 2007

Easily Convert Publisher URLs and DOIs to Bibliographical Citations - Synthesis, Synlett, Ruby, and Mechanize

June 27, 2007

Interconvert (Almost) Any SMILES and InChI with Ruby Open Babel

June 25, 2007

Hacking CiteULike - Metascripting with Ruby and Session

June 22, 2007

Open Notebook Science Using InChIMatic

June 21, 2007

Everything is Miscellaneous

June 20, 2007

We Don't Need No Stinkin' Copyright

June 19, 2007

Yet Another Free Chemical Database: Reaction Searching with CMLD-BU

June 18, 2007

Buggotea: The Problem with Abundance

June 15, 2007

Can Your Cheminformatics Tool Do This?

June 13, 2007

Hacking PubChem - Learning to Speak PUG

June 11, 2007

Hacking PubChem - Power User Gateway

June 04, 2007

Open Access in Organic Chemistry

June 01, 2007

RESTful Cheminformatics

May 30, 2007

Just Say 'No' to Pentavalent Carbon

May 28, 2007

Flex, Rich Internet Applications, and Cheminformatics

May 25, 2007

Name That Graph

May 23, 2007

Simple CAS Number Lookup with PubChem

May 21, 2007

My InChI Runneth Over

May 17, 2007

Interactive Ruby Open Babel

May 16, 2007

Scientific Publication and the Seven Deadly Sins

May 14, 2007

Hashing InChIs

May 09, 2007

Free Chemistry Databases on the Web: Creating a Comprehensive Guide

May 07, 2007

Update: InChI Canonicalization Algorithm

May 05, 2007

A Chemical Structure Editor for the Web: Four Screenshots of a Firefly Prototype

May 02, 2007

Golden Rules for Open Source

April 30, 2007

Strings and Things

April 25, 2007

A Chemical Structure Editor for the Web - Firefly's Two Audiences

April 23, 2007

Update: Four Free 2-D Structure Editors for Web Applications

April 22, 2007

Self-Referential

April 20, 2007

A 2D Chemical Structure Editor for the Web - Embracing Constraints in Firefly

April 18, 2007

The Structure Editor: (Forgotten) Link Between Chemistry and Cheminformatics

April 16, 2007

Roll Your Own Chemical Database With Free Components

April 13, 2007

Structure Diagram Generation

April 11, 2007

Painless Installation of Ruby Open Babel

April 09, 2007

Can Your Cheminformatics Tool Do This?

April 05, 2007

Creating Canonical SMILES with Ruby Open Babel

April 03, 2007

The Aesthetics of Chemical Structure Diagrams

March 30, 2007

Rethinking the Command Line for Chemistry

March 27, 2007

Source Code, Science, and Advertising

March 26, 2007

Why I Still Don't Use Connotea

March 22, 2007

SciLink: Science Meets Facebook

March 20, 2007

Customize InChI Output with Rino

March 19, 2007

Software, Science, and Startups

March 16, 2007

Do You Use the Command Line?

March 15, 2007

Eleven Qualities of The Perfect Line Notation for the Web

March 14, 2007

From IUPAC Name to Molecular Formula with Ruby CDK

March 13, 2007

Web 2.0 and Chemistry

March 12, 2007

Yet Another Free Chemistry Database: FooDB

March 06, 2007

Why the Web Isn't Ready for Chemistry

March 05, 2007

Bountiful Quantities of Useless Features

March 02, 2007

Bryan Vickery on What's Broken in Cheminformatics

March 01, 2007

InChI Spam

February 28, 2007

Googling for Molecules: New and Improved InChIMatic

February 28, 2007

Making the Case - Flux-2

February 26, 2007

The Power of Simple

February 23, 2007

Octet Fundamentals - Immutable Molecules

February 20, 2007

Google for Molecules with InChIMatic

February 19, 2007

Twist and Shout

February 16, 2007

Woz on Design and Constraints

February 15, 2007

What's Broken in Cheminformatics?

February 14, 2007

Mongrel and Rails: It's Just not Fair

February 05, 2007

Octet Fundamentals: A Documented System of Atomic Masses

February 02, 2007

How to Fail in Science (or Anything Else)

February 01, 2007

A Molecular Language for Modern Chemistry: Reading FlexMol Documents with Octet

January 31, 2007

An Object-Oriented Framework for Molecular Representation: Getting Started with Octet

January 30, 2007

How to Find Chemical Information on the Internet: Why Open Source, Open Access, and Open Data Matter

January 26, 2007

A Molecular Language for Modern Chemistry: FlexMol, Tetrahedral Chirality, and Monolaterol

January 25, 2007

Thirty-Two Free Chemistry Databases

January 24, 2007

Making the Case: Topological Maximum Cross Correlation

January 23, 2007

A Molecular Language for Modern Chemistry: FlexMol and Planar-Chiral Metacyclophanes

January 22, 2007

Making the Case: Personal Chemistry Client

January 19, 2007

Collective Intelligence and the Dumbness of Crowds

January 18, 2007

A Molecular Language for Modern Chemistry - Cisplatin, Transplatin, and Molecular Configuration

January 17, 2007

The Scientific Debate: Digg Meets Science?

January 16, 2007

ChemRefer: Free Direct Access to the Primary Literature

January 15, 2007

FlexMol and Axial Chirality: N-Arylacrylanilides

January 12, 2007

Decoding InChIs: An Introduction to Ninja

January 12, 2007

A Molecular Language for Modern Chemistry: FlexMol and Axial Chirality

January 09, 2007

The Axial Chirality Problem

January 08, 2007

From Famine to Feast: A Bumper Crop of Free Chemistry Databases

January 05, 2007

Copyright 2.0 and Open Science

January 04, 2007

Open Source and Open Data: Why We Should Eat Our Own Dogfood

January 03, 2007

A Molecular Language for Modern Chemistry: FlexMol and Alkene Geometrical Isomerism

January 02, 2007

Dispelling Open Source Confusion: An Introduction to Licenses

December 29, 2006

Making the Case: In Silico Prediction of Ames Test Mutagenicity

December 28, 2006

The (Chemical Information) World is Flat

December 27, 2006

Scaffolding

December 21, 2006

A Molecular Language for Modern Chemistry: Getting Started with FlexMol

December 20, 2006

Ferrocene and Beyond: A Solution to the Molecular Representation Problem

December 19, 2006

Anatomy of a Cheminformatics Web Application: Structure Cleanup in Java Molecular Editor

December 18, 2006

Anatomy of a Cheminformatics Web Application: InChIMatic

December 15, 2006

Making the Case: Similarity by Compression

December 13, 2006

The Problem with Ferrocene

December 12, 2006

Hacking Molbank: Creating a Graphical Table of Contents

December 11, 2006

BioRails

December 06, 2006

Source Code Documentation in Ruby: RDoc for Ruby CDK

December 05, 2006

Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

December 04, 2006

Hacking Molbank: Downloading a Complete Chemistry Journal

December 01, 2006

Molbank and the Convergence of Open Access, Open Data, and Open Source in Chemistry

November 30, 2006

We Have Met the Enemy and He Is Us

November 29, 2006

The Open Access Ecosystem

November 28, 2006

Anatomy of a Cheminformatics Web Application: Beautifying Depict

November 27, 2006

Scripting Molecular Fingerprints with Ruby CDK

November 22, 2006

Build a Rails Cheminformatics Application in Thirty Minutes

November 21, 2006

Unchaining Chemistry from the Desktop

November 20, 2006

Visualizing Cheminformatics Algorithms

November 17, 2006

Electric Cars and Open Access

November 16, 2006

Diversity-Oriented Chemical Informatics

November 15, 2006

Eleven Free Cheminformatics Scripting Environments

November 14, 2006

Cheminformatics for the Web: Convert SD Files to HTML with Ruby CDK

November 13, 2006

Name That Graph

November 10, 2006

Look Ma, No Applets!

November 09, 2006

Debabelization

November 08, 2006

Twelve Free Chemistry Databases

November 07, 2006

Stone Soup

November 06, 2006

From SMILES to InChI with OBRuby

November 03, 2006

Stone Knives and Bear Skins

November 02, 2006

OBRuby: A Ruby Interface to Open Babel

October 31, 2006

Agile Chemical Informatics Development with CDK and Ruby: RCDK-0.3.0

October 30, 2006

More Open Access in the Sciences: Metal-Based Drugs and Hindawi Publishing

October 26, 2006

Scripting Java with Ruby: Yet Another Java Bridge

October 25, 2006

Metaprogramming with Ruby: Mapping Java Packages Onto Ruby Modules

October 24, 2006

Making the Case: Milestones in Bio- and Chem(o)informatics

October 24, 2006

Molecular Style Sheets: Combining SVG and CSS

October 20, 2006

Disruptive Innovation in Scientific Publishing: Free Journal Management Systems

October 19, 2006

Disruptive Innovation in Scientific Publishing: Directory of Open Access Journals

October 18, 2006

From IUPAC Nomenclature to 2-D Structures With OPSIN

October 17, 2006

Compiling C to Java Bytecode

October 16, 2006

Decoding IUPAC Names With OPSIN

October 14, 2006

Making the Case

October 13, 2006

Software That Just Works

October 12, 2006

Running Ruby Java Bridge on Windows

October 12, 2006

Hacking PubChem: Direct Access with FTP

September 29, 2006

Hacking PubChem: Free Speech or Free Beer?

September 27, 2006

Looking at InChIs

September 26, 2006

CDK, the Ruby Way: RCDK-0.2.0

September 25, 2006

Mashups for Fun and Profit

September 23, 2006

Hacking PubChem: Entrez Programming Utilities

September 23, 2006

Hacking PubChem: Why The Open Access Fight is Just the Beginning

September 22, 2006

Hacking PubChem: Query by SMILES

September 21, 2006

Point and Shoot Chemical Informatics Software

September 20, 2006

Decoding InChIs with Rino

September 19, 2006

Toward an Open, Worldwide Chemical Information Network

September 17, 2006

Taking a SWIG of InChI

September 16, 2006

CDK, the Ruby Way

September 14, 2006

The Chemically-Aware Web: Are We There Yet?

September 13, 2006

Visualizing IUPAC Names with ChemNomParse

September 11, 2006

Chemical Nomenclature Translation

September 10, 2006

Generating and Serving 2-D Molecular SVGs

September 09, 2006

Chemical Reviews on Wikipedia

September 08, 2006

Rendering Molecules with SVG on the Web

September 07, 2006

The Automatic Encoding of Chemical Structures

September 05, 2006

Hacking NMRShiftDB

September 04, 2006

Peculiarities of Chemical Information

September 03, 2006

Humanizing Line Notations

September 02, 2006

Hacking PubChem with Ruby

August 30, 2006

Drawing 2-D Structures with Structure-CDK

August 28, 2006

Scripting Java Libraries with Ruby Java Bridge

August 26, 2006

From SMILES to InChI: Rino, CDK, and Ruby Java Bridge

August 26, 2006

Computational Perception and Recognition of Digitized Molecular Structures

August 25, 2006

Scripting CDK with JRuby

August 24, 2006

Scripting Octet with JRuby

August 23, 2006

Readily Available, Without Infringements or Restrictions

August 23, 2006

Opportunities for Alternative Suppliers of Secondary Chemical Information

August 21, 2006

Four Free 2-D Structure Editors for Web Applications

August 21, 2006

History of Abstracting at Chemical Abstracts Service

August 19, 2006

A First Look at Modular Chemical Descriptor Language (MCDL)

August 19, 2006

107 Years of Line-Formula Notations (1861-1968)

August 18, 2006

Ruby and InChI: The Rino Library

August 17, 2006

Reading Behavior of Chemists

August 16, 2006

ChemRuby First Look

August 13, 2006

InChI Canonicalization Algorithm

August 12, 2006

Changes

August 12, 2006