Archive

  1. My Struggle for a Good Death

  2. The Witness

  3. Opting out of Optune

  4. DCA and Me

  5. Crystal Gardens

  6. The Geiger Counter

  7. Living with Glioblastoma

  8. Beating Swords into Ploughshares

  9. Growing Pains

  10. Sowing Seeds on Rocky Soil

  11. Grandpa, What Did You Do at the Atom Bomb Factory?

  12. How I Bought and Estimated the Purity of Sodium Dichloroacetate

  13. Beware Oncologists Bearing Hope

  14. Dichloroacetate

  15. Progression

  16. The California End of Life Option Act

  17. Just Saying "No" to Adjuvant Temozolomide

  18. George

  19. Chemoradiotherapy

  20. Temodar, MGMT Methylation, and the Endless Loop of Bad Glioblastoma Treatments

  21. Tumor Board

  22. The Ambiguously Alarming Brain MRI

  23. The Principle of Least Convenience

  24. Glioblastoma's Dismal Standard of Care: The Stupp Protocol

  25. Deconditioning, Rehabilitation, and Independence

  26. Fall Guy

  27. Buried Alive

  28. Dealing with Brain MRIs

  29. Physical and Cognitive Impairments

  30. The G-Word

  31. Reflections on My Brain Surgery

  32. Brain Surgery or Die in Three Months

  33. The Scary Stuff

  34. I Finally Get that Brain MRI

  35. ER

  36. Everyone Has a Plan

  37. Using the Typestate Pattern with Rust Traits

  38. Conjugated Cycle Selection

  39. Exhaustive Cycle Enumeration in Rust

  40. Extending the V3000 Molfile Format with User-Specified Collections

  41. Rethinking Tautomer Representation

  42. Naive Balsa Canonicalization

  43. Balsa Reference Implementation

  44. Direct Molecular Translation

  45. Reading CTfiles with CTcore

  46. CTfile Character Encoding

  47. Dealing with Delocalization

  48. Beyond Stereochemical Templates

  49. Toward a Standard InChI Formal Grammar

  50. Element-to-Atom Mapping in InChI

  51. Trey: A Toolkit for V3000 Molfiles and RGfiles

  52. Introducing Balsa

  53. 18 SMILES Problems as Seen through Twitter Polls

  54. ProtoSMILES

  55. A Dedicated Library for Reading and Writing V3000 CTfiles

  56. TUCAN Canonicalization Revisited

  57. TUCAN Canonicalization

  58. Molecular Identification with TUCAN

  59. An Introduction to DataWarrior

  60. Python Extensions in Pure Rust with Rust-CPython

  61. Big Reaction Data

  62. V3000 Molfile Enhanced Stereochemistry Representation

  63. Graphs from Scratch in Python

  64. Penny Codes

  65. Stereochemistry and the V2000 Molfile Format

  66. A Beginner's Guide to Parsing in Rust

  67. MDL Valence-Mageddon

  68. Ten Reasons to Adopt the V3000 Molfile Format

  69. Typed JavaScript

  70. Types without TypeScript

  71. Molecular Graph Canonicalization

  72. Beyond SMILES

  73. A Rust PostgreSQL Extension for CAS Numbers

  74. Postgres Extensions in Rust

  75. The RDKit/Postgres Ordered Substructure Search Problem

  76. Running the RDKit Postgres Cartridge with Docker

  77. The Trouble with Hückel

  78. Writing Aromatic SMILES

  79. Delocalization-Induced Molecular Equality

  80. Molecular Assembly Index

  81. Standard InChI

  82. Of Zero-Order Bonds and Bonding Systems

  83. InChI Syntax

  84. An Introduction to the ChemDraw CDXML Format

  85. Running InChI Anywhere with WebAssembly

  86. Parsing InChI: It's Complicated

  87. Purr: A SMILES Toolkit for Rust

  88. Fast Hydrogen Counting in SMILES

  89. Benchmarking Iteration from a Rust Trait

  90. Matched Molecular Pairs

  91. SMILES Formal Grammar Revisited

  92. Abstract Syntax Trees for SMILES

  93. A Workbench for Machine Learning in Chemistry

  94. SMILES Reading Performance: RDKit vs ChemCore

  95. Start Seeing Valence and Core Electrons

  96. Running a SMILES Validation Benchmark

  97. Edmonds' Blossom Algorithm Part 1: Cast of Characters

  98. Interactive Rust in a REPL and Jupyter Notebook with EVCXR

  99. Getting Started with DeepChem

  100. Saying No to Browser UI Frameworks

  101. A Smallest Set of Smallest Rings

  102. SMILES Validation in the Browser

  103. Getting Started with RDKit and Jupyter

  104. Python Extensions in Pure Rust with PyO3

  105. Wrapping Rust Types as Python Classes

  106. A Guide to Molecular Standardization

  107. Reading Large SDfiles in Rust

  108. The SDfile Format

  109. Rust and WebAssembly from Scratch: Hello World with Strings

  110. Compiling Rust to WebAssembly: A Simple Example

  111. Returning Rust Iterators

  112. OxMol: Rust/Python Bindings for ChemCore

  113. Hydrogen Suppression in SMILES

  114. ChemCore: A Cheminformatics Toolkit for Rust

  115. Let's Build a SMILES Parser in Rust

  116. Hydrogen Suppression in Cheminformatics

  117. Cheminformatics in Rust: Implementing a Minimal Molecule API

  118. Stereochemistry and Atom Parity in SMILES

  119. Multi-Atom Bonding in Cheminformatics

  120. SMILES Formal Grammar

  121. Hydrogen Suppression in Molfiles

  122. A Minimal Molecule API

  123. COVID MoonShot

  124. Azithromycin and COVID-19

  125. Formal Charge and Bond Order are Side Effects

  126. A Brief Introduction to Graph Convolutional Networks

  127. Compiling InChI to WebAssembly Part 2: From Molfile to InChI

  128. Rethinking the Chemical Reaction as a Graph: Imaginary Transition Structures and Beyond

  129. Graphs in Rust: Introducing Gamma

  130. A Comprehensive Treatment of Aromaticity in the SMILES Language

  131. Graphs in Rust: An Introduction to Petgraph

  132. Rust Ownership by Example

  133. Rust for Cheminformatics

  134. First Steps in WebAssembly: Hello World

  135. A Minimal Graph API

  136. Virtual Hydrogens

  137. Compiling C to WebAssembly and Running It - without Emscripten

  138. Security Theater and the Blockchain Project

  139. Compiling InChI to WebAssembly Part 1: Hello InChI

  140. JavaScript for Cheminformatics, Part 2

  141. The SMILES Substructure Search Fallacy

  142. The Maximum Matching Problem

  143. Chemical Line Notations for Deep Learning: DeepSMILES and Beyond

  144. Class-Free Object-Oriented Programming

  145. The Language of Organic Chemistry

  146. Distributed Chemistry

  147. Chemception: Deep Learning from 2D Chemical Structure Images

  148. The NextMove Patent Reaction Dataset

  149. Scanner-Driven Parser Development

  150. Debugging ES Modules in Node.js and Mocha Using VS Code

  151. Computing Extended Connectivity Fingerprints

  152. The Horrifying Future of Scientific Communication

  153. Planes, Trains, and Organic Syntheses

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

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

  156. A Second Failed Test of ACS Articles on Request

  157. Chemical Structure Copy and Paste Problems

  158. Chemists: How Do You Keep Current with the Literature?

  159. Solving Organic Chemistry's Oldest Problem

  160. Evernote as an Electronic Lab Notebook (ELN)

  161. Copyright for Chemists: Promoting Reuse through Open Licensing

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

  163. Copyright for Chemists: How to Free Your Supporting Information

  164. Copyright for Chemists

  165. Anonymous Science and the Survival of BlogSyn

  166. Chemists: What Has LinkedIn Done For You Lately?

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

  168. Reshoring Pharma Jobs

  169. Ambassador for Chemistry?

  170. How to Get a Job Like Mine

  171. Follow the Money: American Chemical Society Expenses at a Glance

  172. Follow the Money: American Chemical Society Income at a Glance

  173. Two Windows are Better Than One

  174. Which Programming Language Should I Learn as a Chemist?

  175. Molfile and SD File Formats: Broken But Irreplaceable?

  176. Reading (and Rendering) ChemDraw CDX Files in JavaScript

  177. Why Organic Chemistry is Like Facebook

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

  179. Why ACS Must Come Clean on Journal Publication Costs

  180. Education of a Scientist

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

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

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

  184. On the (F)utility of Extending the Molfile Format

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

  186. Understanding the PyMOL User Interface

  187. Install PyMOL on Mac OS X Snow Leopard

  188. Install PyMOL on Windows

  189. Install PyMOL on Ubuntu Linux

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

  191. An Introduction to Foldit

  192. Easily Install PyMOL on Mac OSX

  193. How to Validate CAS Registry Numbers in JavaScript

  194. Display Inline SVG Using the <img> Tag

  195. Similarity-Potency Trees

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

  197. Shoreline: A Google Closure Project Template

  198. Sixty-Four Free Chemistry Databases

  199. ACS v. Leadscope: Oral Arguments in Ohio Supreme Court

  200. Learn WebGL by Building a 3D Molecule Viewer

  201. Spex: Spectrum and Chromatogram Analysis for the Web Browser

  202. Changes

  203. Drugable.com: Web Software for Drug Discovery

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

  205. Standardization in Lab Automation: The SiLA Consortium

  206. Really Drug-Like Molecules

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

  208. Jmol Without Applets Using Websockets

  209. PicoSpin and the Incredible Shrinking Lab

  210. WebGL and What It Means for Chemistry

  211. Ten Reasons to Use ChemWriter in Your Next Web Application

  212. Working With OPSIN - Using Netbeans for a Maven Project

  213. Plugging Into OPSIN - How to Synchronize Git and Mercurial Repositories

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

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

  216. Name That Graph

  217. Just Add Points?

  218. The Mysterious Google Chrome SVG Bug Revisited

  219. 200 Countries and 200 Years in 4 Minutes

  220. The Mysterious Google Chrome SVG Bug

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

  222. Atom Labels Now Available in ChemWriter 2

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

  224. Inkspot Science - Pipeline Pilot for the Cloud?

  225. Google Closure - Building Complex Applications with JavaScript

  226. Building ChemWriter 2 - Pivotal Tracker for Project Management

  227. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  228. Jeux Sans Frontieres

  229. ChemWriter 2 Preview

  230. ACS Versus Leadscope - Leadscope Tells Its Story in Court Document

  231. The ACS Versus Leadscope Case

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

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

  234. Predicting Synthetic Accessibility

  235. Name That Graph

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

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

  238. The FDA Unique Ingredient Identifier (UNII)

  239. A Lightweight and Portable Java Interface to InChI

  240. Freeform Natural Laws from Experimental Data

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

  242. Poster at the CDD Community Meeting

  243. Cheminformatics Data Pipelining with KNIME - Getting Started

  244. The ACS Journal Publishing Agreement and the Other Path Forward

  245. Software Downsizing

  246. Node.js

  247. A Brief Introduction to Lawson Numbers

  248. Making Sense of the ChemDraw CDX File Format with CDXHexDumper

  249. Reading and Translating ChemDraw CDX Files with OpenBabel

  250. A Brief Introduction to the ChemDraw CDX File Format

  251. Scrum in Under Ten Minutes

  252. The Graph Traversal Programming Pattern

  253. Goodbye Paper, Hello Mendeley

  254. NoSQL is Web Scale [NSFW]

  255. Google Does a Spinning Molecule Thingie

  256. Chempedia Lab: Slides from Fall 2010 ACS Meeting in Boston

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

  258. Visual Representation of Query Structures

  259. Whyday and Putting Away Your Best Practices

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

  261. ACS Appeals Leadscope Case to Ohio Supreme Court

  262. Chemicalize: Instant Access to Structures on Arbitrary Web Pages

  263. Building ChemWriter 2 - JavaScript All the Way Down

  264. Mirroring PubChem the Easy Way with PubChem Fu

  265. Rational, Self-Maximizing Actors

  266. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  270. Latest CTFile Formats Specification Available Now from Symyx

  271. 1981 Time Capsule: The Future of Newspaper Publication

  272. The Avalanche of Low-Quality Research?

  273. What About Chempedia?

  274. HTML 5, Mobile Devices, and Chemistry

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

  276. Chemical Inventory Systems: Cheminformatics' Problem Child?

  277. Gigabytes of Chemical Information - Now Free for Download

  278. Chemistry Has a Long Tail - Deal With It

  279. How To Kill the DOI System

  280. Two Chemistry Apps for Mobile Devices

  281. Cheminformatics in JavaScript: JChemHub

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

  283. Awesome People: Andrew Warner

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

  285. Wise People

  286. Practical Chemistry on the Web

  287. The Scientist's Dilemma

  288. Wiley DOI Fail

  289. Wanted: A Few Good Chemists

  290. InChI 1.03 Prerelease

  291. One-Stop Shopping for Chemistry Journal RSS and Atom Feeds

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

  293. Game Mechanics in Science: You're Soaking in Them

  294. Chempedia: A Social Medium for Chemical Information - Wrapup

  295. Chempedia at the Spring ACS

  296. Jeux Sans Frontieres

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

  298. Smaller, Cheaper, More Powerful

  299. Significant InChI Issue: Two Different InChIs from the Same Molecule

  300. Why is Chempedia Lab Failing?

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

  302. Big Data in Chemistry: Incrementally Mirror PubChem the Easy Way

  303. Second Call For Papers: Recent Advances in Chemical Structure Representation

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

  305. Quote of the Week: Print References

  306. Everything Old is New Again: WLN in PubChem

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

  308. Big Data in Chemistry: Mirroring PubChem the Easy Way

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

  310. PubCouch: Create Your Own Custom PubChem Subset

  311. PubCouch - Streams Aren't Just for Pipeline Pilot

  312. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  313. PubCouch: A CouchDB Interface to PubChem

  314. The Future of PyMOL

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

  316. StructureDB - A Profiling Session

  317. Talking About Chempedia and the Future of Scientific Communication

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

  319. The Warren L. DeLano Memorial Award for Computational Biosciences

  320. Pinpoint Performance Problems with Google Speed Tracer

  321. JavaScript Survival: Screw.Unit

  322. Casting a Wide Net in Cheminformatics

  323. Tech Fridays: Cloud Computing (in Plain English)

  324. Chempedia Data Downloads: Free as in Free

  325. A Clean, Well-Lit Place for Spectra

  326. Warren DeLano

  327. Building Chempedia - A RESTful Web API for Chemical Information

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

  329. Chempedia Launch Day Wrapup

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

  331. Building Chempedia: Heroku, DNS, and Propagation

  332. Welcome to Chempedia!

  333. Avogadro 1.0

  334. Tech Fridays: The Web That Wasn't

  335. Chempedia: A Social Medium for Chemical Information

  336. Building Chempedia - Heroku Deployment First Impressions

  337. Tech Fridays: Galaxy Zoo

  338. The SMILES Antipattern

  339. The Future of Scientific Publication - Role Reversal Ahead

  340. Tech Fridays: Google Web Toolkit

  341. Building Chempedia: Deployment with Heroku and EC2

  342. Drug Discovery on the Web

  343. Last Chance to Win a ChemWriter Domain License

  344. Tech Fridays: Deploying Rails and Rack Applications with Heroku

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

  346. Is the Electronic Laboratory Notebook Doomed?

  347. A RESTful Interface for Toxicity Prediction

  348. Tech Fridays: Google Chrome Frame

  349. Win a Free ChemWriter License for Your Site

  350. Reverse Auction for Specialty Chemicals

  351. Sixty-Four Free Chemistry Databases - Thirty and Counting

  352. Casual Saturdays: Optimistic Design

  353. Tech Fridays: PubSubHubbub

  354. Stereochemistry Puzzler: Answers

  355. Stereochemistry Puzzler: How Many Stereoisomers for These 69 Structures?

  356. Stereoisomer Generation

  357. Casual Saturdays: Extreme Testing

  358. Tech Fridays: JavaScript - The Good Parts

  359. The RESTful Chemical Tracking System Part 5 - Media Types

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

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

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

  363. The RESTful Chemical Tracking System Part 3 - Resource Associations

  364. Human Computing

  365. The RESTful Chemical Tracking System Part 2 - Resources

  366. The RESTful Chemical Tracking System Part 1 - Introduction

  367. RESTful Web Services, Hypermedia, and (Robot) Scientists

  368. Chemical Information and Marketing

  369. Molecular Modeling for Average Joes

  370. Sixty-Four Free Chemistry Databases - Twenty and Counting

  371. Casual Saturdays: Never Assume

  372. Linked Chemical Data @ Google TechTalks

  373. Graph Databases and Cheminformatics - Neo4j

  374. Chemcaster - The REST Web API for Cheminformatics

  375. Seventeen GitHub Accounts to Watch in Cheminformatics

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

  377. MX-1.0 Beta 2

  378. Hashing and the Universal Molecular Identifier

  379. Always Be Testing: Using Mockito in MX

  380. Casual Saturdays: Bird's Eye

  381. Porting MX - CDK-Compatible VF Implementation

  382. Innovation: What Thinking Outside the Box Actually Means

  383. 3D Molecular Visualization with Avogadro

  384. Casual Saturdays - Turtles All The Way Down

  385. Open Source Cheminformatics Tools and Data

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

  387. Beginning of the End for ACS Journal Print Editions

  388. If the Wheel Doesn't Work, Reinvent it

  389. Nifty GitHub Features: Integrated Issue Tracking

  390. Casual Saturdays: Linked Data

  391. MX-1.0 Beta 1

  392. Dark Corners of the Molfile Specification - Sgroups and Substructure Abbreviations

  393. Small Libraries and GitHub: Applet-Fu

  394. On This Day In Organic Chemistry, 1874

  395. RESTful Substructure Search

  396. Painless Source Code Highlighting with Prettify

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

  398. Name That Graph

  399. Still More Free Chemistry Databases and Web Services

  400. Forking ONS Challenge Solubility Code on GitHub

  401. Downloadable eMolecules Datasets

  402. Five Reasons Why Chemical Societies Need Free Databases and Web Services

  403. Casual Saturdays: Repurpose

  404. Updating Ruby CDK

  405. Science Doesn't Need Journals

  406. Building Chemistry Communities

  407. Learning from StackOverflow: Building Chemistry Communities

  408. Scientific Blogging - Ignore It and Be Ignored?

  409. Casual Saturdays: Correlation

  410. The First InChIKey Collision

  411. CouchDB for Chemistry

  412. Casual Saturdays: The Thin Line Between Crackpot and Genius

  413. Antisocial Journals

  414. Chemical Markup Language and Ferrocene Part 2 - Cyclopentadienyl Anion

  415. Why Chemical Abstracts Service Might Not Want To Use InChI

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

  417. Getting Real With Electronic Laboratory Notebooks - mylims.org

  418. Cheminformatics in Any Language with MX Part 1 - Scala

  419. ACS To Suspend Print Publication of All Journals

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

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

  422. Casual Saturdays: Building Blocks

  423. Cheminformatics, Crowds, and Cha-Ching

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

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

  426. Casual Saturdays: Twittervision

  427. What's Up With Chempedia?

  428. Sixty-Four Free Chemistry Databases

  429. Casual Saturdays: What's Phase 2?

  430. Interconvert Database Formats in Rails with YamlDB

  431. Substructure Search Idoms: Hydrogen Means Block Substitution

  432. The Bikeshed Effect

  433. $299 ChemWriter Domain Licenses During March

  434. Broken Business Models and Bailouts

  435. Cheminformatics and Micropublication in Chemistry

  436. What the Heck is RDF?

  437. What the Heck is the Semantic Web?

  438. Zusammen: The Other Half of the Story

  439. Casual Saturdays: The Lazy Path to Enlightenment

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

  441. MX at Work: Building a Pure JavaScript Chemical Structure Editor

  442. Casual Saturdays: Popular Belief

  443. Chemical Substructure Search in SQL

  444. Chemical Informatics Guys Don't Get It

  445. Of Web-Centric Science, Telegraphs, and Telephones

  446. Web-Centric Science

  447. Scaling Up Scientific Conversation

  448. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  452. Casual Saturdays: Bobby Tables

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

  454. Open Benchmarks for Cheminformatics: Working with Japex

  455. Merb on JRuby

  456. Exhaustive Ring Perception With MX

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

  458. The Electronic Laboratory Notebook Trap

  459. Scientific Journal to Require Wikipedia Summary Page of New Research Articles

  460. Exhaustive Ring Perception

  461. Reading and Writing SD Files With MX

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

  463. Mr. InChI - Tear Down This Wall

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

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

  466. Killer GitHub Feature: Visualizing Branch/Merge Activity in MX

  467. Open Benchmarks for Cheminformatics

  468. Choose Java for Speed

  469. Reading SMILES with MX

  470. Five Questions About the InChI Resolver

  471. Open Source Cheminformatics in Python with MX

  472. Flexible Depth-First Search With MX

  473. Goodbye Subversion, Hello Git and GitHub

  474. Getting Started with MX

  475. Casual Saturdays: Complexity

  476. ChemPhoto Beta-2

  477. Introducing MX - Lightweight and Free Cheminformatics Tools for Java

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

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

  480. One of These Things is Not Like The Others

  481. Casual Saturdays: Business Plan

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

  483. Billions and Billions

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

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

  486. ChemPhoto Beta-1 Now Available

  487. Flying Coach

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

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

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

  491. Casual Saturdays: Shoulders of Giants

  492. PubChem WTF #1

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

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

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

  496. Name That Graph

  497. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  501. What Good is a Scientific Blog?

  502. Casual Saturdays: Blind Trust

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

  504. Crazy Idea #6,349: JavaScript in PDF

  505. Because Mistakes Happen: Giving ChemPhoto Some Poka-yoke

  506. Stack Overflow - Technical Discussion Forums and Modern Chemistry

  507. Book Review - Practical Prototype and script.aculo.us

  508. Casual Saturdays: Balkanization

  509. Your Favorite Chemical Spreadsheet

  510. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

  511. ChemPhoto Screenshots: Appearance of Structures and Browsing Large Collections

  512. Smarter Cheminformatics - From SD File to Image Collection with ChemPhoto

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

  514. Google Chrome: Rethinking the Browser - as an Operating System

  515. JavaScript for Cheminformatics - Atom Typing with Prototype and Iterators

  516. JavaScript for Cheminformatics - Using the Prototype Framework

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

  518. Encapsulated PostScript for Cheminformatics

  519. Casual Saturdays: There is No Shelf

  520. Grand Challenges in Cheminformatics

  521. Eight Talks I'd Like to See in Philadelphia

  522. Casual Saturdays: Mundaneum

  523. Building WebSpex - Putting Custom Data Types In Their Place

  524. Validating CAS Numbers

  525. Vector Markup Language for Cheminformatics

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

  527. JavaScript for Cheminformatics

  528. Casual Saturdays: Kinetic Sculpture

  529. 3D Molecule Viewer on the iPhone

  530. Extending InChI Stereochemistry

  531. Scientific Commons: Cleaning Up Science's Basement

  532. Casual Saturdays: How Important is Science Education?

  533. Open Babel 2.2.0

  534. Building Chempedia: Learning About Contributors

  535. ChemWriter 1.3.1

  536. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  537. 3D Molecular Visualization on the Web: OpenAstexViewer

  538. Screencast: Drawing Structures Quickly With ChemWriter

  539. Better Structure Drawing With ChemWriter 1.3.0

  540. Casual Saturdays: A Thousand Years of Darkness

  541. Extreme Data Visualization

  542. Chemistry, The Web, and Netflix

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

  544. Casual Saturdays: Google AppEngine

  545. The Other Vector Graphics Markup Language

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

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

  548. A Simple and Portable Ruby Interface to InChI

  549. Simple CAS Number Lookup (and More) with Chempedia

  550. Small Molecule 3D Coordinates From PubChem

  551. Building Chempedia: Social Networking Applied to Chemistry

  552. Free Web-Based Proton NMR Prediction and Assignment with NMRDB

  553. Building Chempedia - Resizable Structures With ChemWriter

  554. Casual Saturdays: Thinking Inside the Box

  555. Building Chempedia: The Human Element

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

  557. Building Chempedia - Start Simple, Then Iterate

  558. The Economics of Free: Chris Anderson on Charlie Rose

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

  560. 1908 and All That: The Long Tail and Chemistry

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

  562. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  563. Just a Flesh Wound

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

  565. Solve Web Application Scaling Problems With Signed Applets

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

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

  568. Building a Technology Company the Old-Fashioned Way

  569. Is reCAPTCHA Trying to Tell Me Something?

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

  571. Yet Another Free Chemistry Database: Pherobase

  572. ACS and the NIH Public Access Policy - Clarification at Last

  573. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  575. Casual Saturdays: Periodicity is Just a Theory

  576. ACS Loses $27 Million Case Against Leadscope

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

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

  579. Open Access: Think Globally, Act Locally

  580. NIH Hears Publisher Feedback on Open Access Mandate

  581. Cheminformatics Puzzler #1

  582. Startup School 2008 at Stanford

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

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

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

  586. Casual Saturdays: When Broken is a Way of Life

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

  588. How Would Your Cheminformatics Tool Do This?

  589. Casual Saturdays: APOD

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

  591. The Art and Science of Chemical Structure Diagrams: Double Trouble

  592. Swing Sightings: SciFinder Web Version

  593. Casual Saturdays: Steampunk

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

  595. Testing Automatic Chemical Structure Recognition with OSRA

  596. The Chemically-Enabled User Interface: An Introduction to Leafcutter

  597. How Would Your Cheminformatics Tool Do This?

  598. Raiding Chemistry's Data Tombs

  599. Casual Saturdays: Nano

  600. Hacking JSpecView - Enhancing the User Interface

  601. Molecule of the Day: Carminic Acid

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

  603. Filthy Rich Clients

  604. Hacking JSpecView - Creating an HTML Test Harness

  605. Casual Saturdays: Pareidolia

  606. How Would Your Cheminformatics Tool Do This?

  607. Swing Sightings: LigandScout

  608. Hacking JSpecView - Getting Organized with Ant

  609. An Introduction to JSpecView

  610. The New Scientific Publishers

  611. Casual Saturdays: Verge

  612. How Would Your Cheminformatics Tool Do This?

  613. Chemistry's Oldies but Goodies - Direct to Your Desktop

  614. Swing Sightings: Chenomx NMR Suite

  615. Science Blogging Anthology Now in Print

  616. ChemWriter Now Available for Download

  617. Casual Saturdays: Nanosolar

  618. My Favorite Eclipse Shortcut - Quick Fix

  619. How Would Your Cheminformatics Tool Do This?

  620. Subscribe to Depth-First by Email

  621. The Fundamental Cheminformatics Toolset

  622. Depth-First Article to Appear in Science Blogging Anthology

  623. A New Beginning or More of the Same?

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

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

  626. How Would Your Cheminformatics Tool Do This?

  627. Casual Saturdays: Entrepreneurship

  628. Security and the Online Chemical Catalog

  629. Simple 3D Conformer Generation with Smi23D

  630. How Would Your Cheminformatics Tool Do This?

  631. Run Babel Anywhere Java Runs with JBabel

  632. Casual Saturdays: Daybreak

  633. Forty-Eight Free QSAR Datasets (and More)

  634. How Would Your Cheminformatics Tool Do This?

  635. Signal to Noise and the Chemistry Blog

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

  637. Casual Saturdays: Perspective

  638. How Would Your Cheminformatics Tool Do This?

  639. How Would Your Cheminformatics Tool Do This?

  640. SMILES and Aromaticity: Broken?

  641. ChemWriter, Chemical Structures, and the Web

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

  643. Casual Saturdays: Hackintosh

  644. How Would Your Cheminformatics Tool Do This?

  645. Simple Installation of Rubidium

  646. Write Once, Run Anywhere: Simplifying Java Applet Deployment

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

  648. Casual Saturdays: Cynical Dreamer

  649. Why Web Development is Hard

  650. PerlMol: A Case Study in Open Source Cheminformatics Software

  651. Making the Case: OpenSMILES

  652. Create Your Own PubChem Datasets - Exporting Results As SD Files

  653. Parsing SD Files with Ruby and Rubidium

  654. Casual Saturdays: How Television Works

  655. The Business Case for Open Source and the Small Company

  656. How Would Your Cheminformatics Tool Do This?

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

  658. Cheminformatics for Ruby - Getting Started with Rubidium

  659. How Would Your Cheminformatics Tool Do This?

  660. Casual Saturdays: Wikipedia in 2001

  661. Eolas and jActivating - Working Around a Workaround

  662. How Would Your Cheminformatics Tool Do This?

  663. JInChI - Run InChI Anywhere Java Runs

  664. How Would Your Cheminformatics Tool Do This?

  665. Compiling the InChI Toolkit to Pure Java Bytecode with NestedVM

  666. Casual Saturdays: The Four Elements

  667. Building Rubidium - Creating a RubyForge Project Space

  668. Casual Saturdays: Vishnu

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

  670. How Would Your Cheminformatics Tool Do This?

  671. Yet Another Free Chemistry Database: Sigma-Aldrich Reaction Search

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

  673. Casual Saturdays: Argument Clinic

  674. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  675. How Would Your Cheminformatics Tool Do This?

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

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

  678. JRuby for Cheminformatics - Parsing SMILES Simply

  679. Five Reasons to Start Using JRuby Now

  680. Casual Saturdays: Truthiness

  681. What Makes Wikipedia Tick?

  682. Ruby CDK for Newbies

  683. Designing the Obvious: Permalinks and Paradigms

  684. Can Your Cheminformatics Tool Do This?

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

  686. Casual Saturdays: Wwwwwipeout

  687. Designing the Obvious

  688. InChI for Newbies

  689. PubChem for Newbies

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

  691. Building the Chemically-Aware Web - TotallySynthetic and InChIMatic

  692. Casual Saturdays: M.C. Escher in Legos

  693. Taming the Wild Things

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

  695. Easily Calculate TPSA Descriptors from SMILES Strings Using Ruby CDK

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

  697. Hacking ChemSpider - Query by SMILES and InChI with Ruby

  698. Casual Saturdays: On Conformity

  699. Name That Graph

  700. Hacking PubChem - Convert CAS Numbers into PubChem CIDs with Ruby

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

  702. OwnTerms: Legal Templates for the Rest of Us

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

  704. Casual Saturdays: Pretty Cool, Huh?

  705. Science Meets YouTube: Embedded JoVE Videos

  706. From InChI to Image with Ruby Open Babel and Ruby CDK

  707. Name That Graph Revealed - Oligarchy 2.0

  708. Modern Approaches to Data Visualization

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

  710. Fighting Comment Spam on the Cheap with CAPTCHA

  711. Cheminformatics in Korean: An Example of Scientific Self-Organization

  712. Name That Graph

  713. From the ACS Exposition - Aureus Turns Published Biological Screening Data Into Information

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

  715. ScienceHack: YouTube Meets Chemistry

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

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

  718. Five Ways to Use PubChem Right Now

  719. Googling for Molecules with InChIMatic and Firefly

  720. Java Interface to PubChem's Power User Gateway

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

  722. James Gosling Unplugged

  723. Ten Things That Surprised Me About Blogging

  724. Never Draw the Same Molecule Twice: Viewing Image Metadata

  725. Name That Graph

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

  727. The Best 55 Online Periodic Tables

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

  729. Never Draw the Same Molecule Twice: Image Metadata for Cheminformatics

  730. Conversations with James

  731. Editable and Searchable 2D Molecular Images

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

  733. Top Ten Best-Selling Drugs Worldwide (2006)

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

  735. Building a Molecule Preview with Firefly - The Joy of Swing

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

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

  738. Waldorf Salad

  739. Yet Another Free Chemistry Database: Heterocycles Web Edition

  740. PubChem is a Platform

  741. Manage Your Bibliography with Firefox and Zotero

  742. Starting, Quitting, and Finishing

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

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

  745. Hacking CiteULike - Metascripting with Ruby and Session

  746. Open Notebook Science Using InChIMatic

  747. Everything is Miscellaneous

  748. We Don't Need No Stinkin' Copyright

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

  750. Buggotea: The Problem with Abundance

  751. Can Your Cheminformatics Tool Do This?

  752. Hacking PubChem - Learning to Speak PUG

  753. Hacking PubChem - Power User Gateway

  754. Open Access in Organic Chemistry

  755. RESTful Cheminformatics

  756. Just Say 'No' to Pentavalent Carbon

  757. Flex, Rich Internet Applications, and Cheminformatics

  758. Name That Graph

  759. Simple CAS Number Lookup with PubChem

  760. My InChI Runneth Over

  761. Interactive Ruby Open Babel

  762. Scientific Publication and the Seven Deadly Sins

  763. Hashing InChIs

  764. Free Chemistry Databases on the Web: Creating a Comprehensive Guide

  765. Update: InChI Canonicalization Algorithm

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

  767. Golden Rules for Open Source

  768. Strings and Things

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

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

  771. Self-Referential

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

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

  774. Roll Your Own Chemical Database With Free Components

  775. Structure Diagram Generation

  776. Painless Installation of Ruby Open Babel

  777. Can Your Cheminformatics Tool Do This?

  778. Creating Canonical SMILES with Ruby Open Babel

  779. The Aesthetics of Chemical Structure Diagrams

  780. Rethinking the Command Line for Chemistry

  781. Source Code, Science, and Advertising

  782. Why I Still Don't Use Connotea

  783. SciLink: Science Meets Facebook

  784. Customize InChI Output with Rino

  785. Software, Science, and Startups

  786. Do You Use the Command Line?

  787. Eleven Qualities of The Perfect Line Notation for the Web

  788. From IUPAC Name to Molecular Formula with Ruby CDK

  789. Web 2.0 and Chemistry

  790. Yet Another Free Chemistry Database: FooDB

  791. Why the Web Isn't Ready for Chemistry

  792. Bountiful Quantities of Useless Features

  793. Bryan Vickery on What's Broken in Cheminformatics

  794. Googling for Molecules: New and Improved InChIMatic

  795. InChI Spam

  796. Making the Case - Flux-2

  797. The Power of Simple

  798. Octet Fundamentals - Immutable Molecules

  799. Google for Molecules with InChIMatic

  800. Twist and Shout

  801. Woz on Design and Constraints

  802. What's Broken in Cheminformatics?

  803. Mongrel and Rails: It's Just not Fair

  804. Octet Fundamentals: A Documented System of Atomic Masses

  805. How to Fail in Science (or Anything Else)

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

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

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

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

  810. Thirty-Two Free Chemistry Databases

  811. Making the Case: Topological Maximum Cross Correlation

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

  813. Making the Case: Personal Chemistry Client

  814. Collective Intelligence and the Dumbness of Crowds

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

  816. The Scientific Debate: Digg Meets Science?

  817. ChemRefer: Free Direct Access to the Primary Literature

  818. Decoding InChIs: An Introduction to Ninja

  819. FlexMol and Axial Chirality: N-Arylacrylanilides

  820. A Molecular Language for Modern Chemistry: FlexMol and Axial Chirality

  821. The Axial Chirality Problem

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

  823. Copyright 2.0 and Open Science

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

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

  826. Dispelling Open Source Confusion: An Introduction to Licenses

  827. Making the Case: In Silico Prediction of Ames Test Mutagenicity

  828. The (Chemical Information) World is Flat

  829. Scaffolding

  830. A Molecular Language for Modern Chemistry: Getting Started with FlexMol

  831. Ferrocene and Beyond: A Solution to the Molecular Representation Problem

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

  833. Anatomy of a Cheminformatics Web Application: InChIMatic

  834. Making the Case: Similarity by Compression

  835. The Problem with Ferrocene

  836. Hacking Molbank: Creating a Graphical Table of Contents

  837. BioRails

  838. Source Code Documentation in Ruby: RDoc for Ruby CDK

  839. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  840. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  842. We Have Met the Enemy and He Is Us

  843. The Open Access Ecosystem

  844. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  845. Scripting Molecular Fingerprints with Ruby CDK

  846. Build a Rails Cheminformatics Application in Thirty Minutes

  847. Unchaining Chemistry from the Desktop

  848. Visualizing Cheminformatics Algorithms

  849. Electric Cars and Open Access

  850. Diversity-Oriented Chemical Informatics

  851. Eleven Free Cheminformatics Scripting Environments

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

  853. Name That Graph

  854. Look Ma, No Applets!

  855. Debabelization

  856. Twelve Free Chemistry Databases

  857. Stone Soup

  858. From SMILES to InChI with OBRuby

  859. Stone Knives and Bear Skins

  860. OBRuby: A Ruby Interface to Open Babel

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

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

  863. Scripting Java with Ruby: Yet Another Java Bridge

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

  865. Metaprogramming with Ruby: Mapping Java Packages Onto Ruby Modules

  866. Molecular Style Sheets: Combining SVG and CSS

  867. Disruptive Innovation in Scientific Publishing: Free Journal Management Systems

  868. Disruptive Innovation in Scientific Publishing: Directory of Open Access Journals

  869. From IUPAC Nomenclature to 2-D Structures With OPSIN

  870. Compiling C to Java Bytecode

  871. Decoding IUPAC Names With OPSIN

  872. Making the Case

  873. Running Ruby Java Bridge on Windows

  874. Software That Just Works

  875. Hacking PubChem: Direct Access with FTP

  876. Hacking PubChem: Free Speech or Free Beer?

  877. Looking at InChIs

  878. CDK, the Ruby Way: RCDK-0.2.0

  879. Hacking PubChem: Entrez Programming Utilities

  880. Mashups for Fun and Profit

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

  882. Hacking PubChem: Query by SMILES

  883. Point and Shoot Chemical Informatics Software

  884. Decoding InChIs with Rino

  885. Toward an Open, Worldwide Chemical Information Network

  886. Taking a SWIG of InChI

  887. CDK, the Ruby Way

  888. The Chemically-Aware Web: Are We There Yet?

  889. Visualizing IUPAC Names with ChemNomParse

  890. Chemical Nomenclature Translation

  891. Generating and Serving 2-D Molecular SVGs

  892. Chemical Reviews on Wikipedia

  893. Rendering Molecules with SVG on the Web

  894. The Automatic Encoding of Chemical Structures

  895. Hacking NMRShiftDB

  896. Peculiarities of Chemical Information

  897. Humanizing Line Notations

  898. Hacking PubChem with Ruby

  899. Drawing 2-D Structures with Structure-CDK

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

  901. Scripting Java Libraries with Ruby Java Bridge

  902. Computational Perception and Recognition of Digitized Molecular Structures

  903. Scripting CDK with JRuby

  904. Readily Available, Without Infringements or Restrictions

  905. Scripting Octet with JRuby

  906. Four Free 2-D Structure Editors for Web Applications

  907. Opportunities for Alternative Suppliers of Secondary Chemical Information

  908. A First Look at Modular Chemical Descriptor Language (MCDL)

  909. History of Abstracting at Chemical Abstracts Service

  910. 107 Years of Line-Formula Notations (1861-1968)

  911. Ruby and InChI: The Rino Library

  912. Reading Behavior of Chemists

  913. ChemRuby First Look

  914. Changes

  915. InChI Canonicalization Algorithm