Archive
The Horrifying Future of Scientific Communication
May 08, 2013
Planes, Trains, and Organic Syntheses
April 23, 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
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
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
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
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
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
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
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
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
Atom Labels Now Available in ChemWriter 2
November 30, 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
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
Visual Representation of Query Structures
August 31, 2010
Whyday and Putting Away Your Best Practices
August 18, 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
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
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
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
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
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
Smaller, Cheaper, More Powerful
March 12, 2010
Why is Chempedia Lab Failing?
March 09, 2010
What's the Difference Between an ELN and a LIMS?
March 05, 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
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
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
The RESTful Chemical Tracking System Part 4 - Resources, Representations, Hypertext, and JSON
August 28, 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
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
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
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
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
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
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
Why Chemical Abstracts Service Might Not Want To Use InChI
April 10, 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
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
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
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
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
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
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
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 - 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
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
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
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
Casual Saturdays: Thinking Inside the Box
May 17, 2008
Building Chempedia: The Human Element
May 15, 2008
Building Chempedia - Start Simple, Then Iterate
May 13, 2008
1908 and All That: The Long Tail and Chemistry
May 07, 2008
Just a Flesh Wound
April 30, 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
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
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
Demystifying Java Applets Part 3 - Failing Gracefully When Your Users Don't Have Java
March 12, 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
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
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
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
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
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 Comment Spam on the Cheap with CAPTCHA
September 01, 2007
Name That Graph
August 30, 2007
From The Acs Exposition Aureus Turns Published Biological Screening Data Into Information
August 29, 2007
ScienceHack: YouTube Meets Chemistry
August 28, 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
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
Waldorf Salad
July 11, 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
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
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
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
Update: InChI Canonicalization Algorithm
May 05, 2007
Golden Rules for Open Source
April 30, 2007
Strings and Things
April 25, 2007
Update: Four Free 2-D Structure Editors for Web Applications
April 22, 2007
Self-Referential
April 20, 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
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
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
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
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
Scripting CDK with JRuby
August 24, 2006
Scripting Octet with JRuby
August 23, 2006
Readily Available, Without Infringements or Restrictions
August 23, 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
