Archive

  1. Beyond SMILES

  2. A Rust PostgreSQL Extension for CAS Numbers

  3. Postgres Extensions in Rust

  4. The RDKit/Postgres Ordered Substructure Search Problem

  5. Running the RDKit Postgres Cartridge with Docker

  6. The Trouble with Hückel

  7. Writing Aromatic SMILES

  8. Delocalization-Induced Molecular Equality

  9. Molecular Assembly Index

  10. Standard InChI

  11. Of Zero-Order Bonds and Bonding Systems

  12. InChI Syntax

  13. An Introduction to the ChemDraw CDXML Format

  14. Running InChI Anywhere with WebAssembly

  15. Parsing InChI: It's Complicated

  16. Purr: A SMILES Toolkit for Rust

  17. Fast Hydrogen Counting in SMILES

  18. Benchmarking Iteration from a Rust Trait

  19. Matched Molecular Pairs

  20. SMILES Formal Grammar Revisited

  21. Abstract Syntax Trees for SMILES

  22. A Workbench for Machine Learning in Chemistry

  23. SMILES Reading Performance: RDKit vs ChemCore

  24. Start Seeing Valence and Core Electrons

  25. Running a SMILES Validation Benchmark

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

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

  28. Getting Started with DeepChem

  29. Saying No to Browser UI Frameworks

  30. A Smallest Set of Smallest Rings

  31. SMILES Validation in the Browser

  32. Getting Started with RDKit and Jupyter

  33. Python Extensions in Pure Rust with PyO3

  34. Wrapping Rust Types as Python Classes

  35. A Guide to Molecular Standardization

  36. Reading Large SDfiles in Rust

  37. The SDfile Format

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

  39. Compiling Rust to WebAssembly: A Simple Example

  40. Returning Rust Iterators

  41. OxMol: Rust/Python Bindings for ChemCore

  42. Hydrogen Suppression in SMILES

  43. ChemCore: A Cheminformatics Toolkit for Rust

  44. Let's Build a SMILES Parser in Rust

  45. Hydrogen Suppression in Cheminformatics

  46. Cheminformatics in Rust: Implementing a Minimal Molecule API

  47. Stereochemistry and Atom Parity in SMILES

  48. Multi-Atom Bonding in Cheminformatics

  49. SMILES Formal Grammar

  50. Hydrogen Suppression in Molfiles

  51. A Minimal Molecule API

  52. COVID MoonShot

  53. Azithromycin and COVID-19

  54. Formal Charge and Bond Order are Side Effects

  55. A Brief Introduction to Graph Convolutional Networks

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

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

  58. Graphs in Rust: Introducing Gamma

  59. A Comprehensive Treatment of Aromaticity in the SMILES Language

  60. Graphs in Rust: An Introduction to Petgraph

  61. Rust Ownership by Example

  62. Rust for Cheminformatics

  63. First Steps in WebAssembly: Hello World

  64. A Minimal Graph API

  65. Virtual Hydrogens

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

  67. Security Theater and the Blockchain Project

  68. Compiling InChI to WebAssembly Part 1: Hello InChI

  69. JavaScript for Cheminformatics, Part 2

  70. The SMILES Substructure Search Fallacy

  71. The Maximum Matching Problem

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

  73. Class-Free Object-Oriented Programming

  74. The Language of Organic Chemistry

  75. Distributed Chemistry

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

  77. The NextMove Patent Reaction Dataset

  78. Scanner-Driven Parser Development

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

  80. Computing Extended Connectivity Fingerprints

  81. The Horrifying Future of Scientific Communication

  82. Planes, Trains, and Organic Syntheses

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

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

  85. A Second Failed Test of ACS Articles on Request

  86. Chemical Structure Copy and Paste Problems

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

  88. Solving Organic Chemistry's Oldest Problem

  89. Evernote as an Electronic Lab Notebook (ELN)

  90. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  93. Copyright for Chemists

  94. Anonymous Science and the Survival of BlogSyn

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

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

  97. Reshoring Pharma Jobs

  98. Ambassador for Chemistry?

  99. How to Get a Job Like Mine

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

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

  102. Two Windows are Better Than One

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

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

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

  106. Why Organic Chemistry is Like Facebook

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

  108. Why ACS Must Come Clean on Journal Publication Costs

  109. Education of a Scientist

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

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

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

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

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

  115. Understanding the PyMOL User Interface

  116. Install PyMOL on Mac OS X Snow Leopard

  117. Install PyMOL on Windows

  118. Install PyMOL on Ubuntu Linux

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

  120. An Introduction to Foldit

  121. Easily Install PyMOL on Mac OSX

  122. How to Validate CAS Registry Numbers in JavaScript

  123. Display Inline SVG Using the <img> Tag

  124. Similarity-Potency Trees

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

  126. Shoreline: A Google Closure Project Template

  127. Sixty-Four Free Chemistry Databases

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

  129. Learn WebGL by Building a 3D Molecule Viewer

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

  131. Changes

  132. Drugable.com: Web Software for Drug Discovery

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

  134. Standardization in Lab Automation: The SiLA Consortium

  135. Really Drug-Like Molecules

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

  137. Jmol Without Applets Using Websockets

  138. PicoSpin and the Incredible Shrinking Lab

  139. WebGL and What It Means for Chemistry

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

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

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

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

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

  145. Name That Graph

  146. Just Add Points?

  147. The Mysterious Google Chrome SVG Bug Revisited

  148. 200 Countries and 200 Years in 4 Minutes

  149. The Mysterious Google Chrome SVG Bug

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

  151. Atom Labels Now Available in ChemWriter 2

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

  153. Inkspot Science - Pipeline Pilot for the Cloud?

  154. Google Closure - Building Complex Applications with JavaScript

  155. Building ChemWriter 2 - Pivotal Tracker for Project Management

  156. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  157. Jeux Sans Frontieres

  158. ChemWriter 2 Preview

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

  160. The ACS Versus Leadscope Case

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

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

  163. Predicting Synthetic Accessibility

  164. Name That Graph

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

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

  167. The FDA Unique Ingredient Identifier (UNII)

  168. A Lightweight and Portable Java Interface to InChI

  169. Freeform Natural Laws from Experimental Data

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

  171. Poster at the CDD Community Meeting

  172. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  174. Software Downsizing

  175. Node.js

  176. A Brief Introduction to Lawson Numbers

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

  178. Reading and Translating ChemDraw CDX Files with OpenBabel

  179. A Brief Introduction to the ChemDraw CDX File Format

  180. Scrum in Under Ten Minutes

  181. The Graph Traversal Programming Pattern

  182. Goodbye Paper, Hello Mendeley

  183. NoSQL is Web Scale [NSFW]

  184. Google Does a Spinning Molecule Thingie

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

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

  187. Visual Representation of Query Structures

  188. Whyday and Putting Away Your Best Practices

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

  190. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  192. Building ChemWriter 2 - JavaScript All the Way Down

  193. Mirroring PubChem the Easy Way with PubChem Fu

  194. Rational, Self-Maximizing Actors

  195. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  199. Latest CTFile Formats Specification Available Now from Symyx

  200. 1981 Time Capsule: The Future of Newspaper Publication

  201. The Avalanche of Low-Quality Research?

  202. What About Chempedia?

  203. HTML 5, Mobile Devices, and Chemistry

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

  205. Chemical Inventory Systems: Cheminformatics' Problem Child?

  206. Gigabytes of Chemical Information - Now Free for Download

  207. Chemistry Has a Long Tail - Deal With It

  208. How To Kill the DOI System

  209. Two Chemistry Apps for Mobile Devices

  210. Cheminformatics in JavaScript: JChemHub

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

  212. Awesome People: Andrew Warner

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

  214. Wise People

  215. Practical Chemistry on the Web

  216. The Scientist's Dilemma

  217. Wiley DOI Fail

  218. Wanted: A Few Good Chemists

  219. InChI 1.03 Prerelease

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

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

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

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

  224. Chempedia at the Spring ACS

  225. Jeux Sans Frontieres

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

  227. Smaller, Cheaper, More Powerful

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

  229. Why is Chempedia Lab Failing?

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

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

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

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

  234. Quote of the Week: Print References

  235. Everything Old is New Again: WLN in PubChem

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

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

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

  239. PubCouch: Create Your Own Custom PubChem Subset

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

  241. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  242. PubCouch: A CouchDB Interface to PubChem

  243. The Future of PyMOL

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

  245. StructureDB - A Profiling Session

  246. Talking About Chempedia and the Future of Scientific Communication

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

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

  249. Pinpoint Performance Problems with Google Speed Tracer

  250. JavaScript Survival: Screw.Unit

  251. Casting a Wide Net in Cheminformatics

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

  253. Chempedia Data Downloads: Free as in Free

  254. A Clean, Well-Lit Place for Spectra

  255. Warren DeLano

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

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

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

  259. Chempedia Launch Day Wrapup

  260. Building Chempedia: Heroku, DNS, and Propagation

  261. Welcome to Chempedia!

  262. Avogadro 1.0

  263. Tech Fridays: The Web That Wasn't

  264. Chempedia: A Social Medium for Chemical Information

  265. Building Chempedia - Heroku Deployment First Impressions

  266. Tech Fridays: Galaxy Zoo

  267. The SMILES Antipattern

  268. The Future of Scientific Publication - Role Reversal Ahead

  269. Tech Fridays: Google Web Toolkit

  270. Building Chempedia: Deployment with Heroku and EC2

  271. Drug Discovery on the Web

  272. Last Chance to Win a ChemWriter Domain License

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

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

  275. Is the Electronic Laboratory Notebook Doomed?

  276. A RESTful Interface for Toxicity Prediction

  277. Win a Free ChemWriter License for Your Site

  278. Tech Fridays: Google Chrome Frame

  279. Reverse Auction for Specialty Chemicals

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

  281. Casual Saturdays: Optimistic Design

  282. Tech Fridays: PubSubHubbub

  283. Stereochemistry Puzzler: Answers

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

  285. Stereoisomer Generation

  286. Casual Saturdays: Extreme Testing

  287. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  293. Human Computing

  294. The RESTful Chemical Tracking System Part 2 - Resources

  295. The RESTful Chemical Tracking System Part 1 - Introduction

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

  297. Chemical Information and Marketing

  298. Molecular Modeling for Average Joes

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

  300. Casual Saturdays: Never Assume

  301. Linked Chemical Data @ Google TechTalks

  302. Graph Databases and Cheminformatics - Neo4j

  303. Chemcaster - The REST Web API for Cheminformatics

  304. Seventeen GitHub Accounts to Watch in Cheminformatics

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

  306. MX-1.0 Beta 2

  307. Hashing and the Universal Molecular Identifier

  308. Always Be Testing: Using Mockito in MX

  309. Casual Saturdays: Bird's Eye

  310. Porting MX - CDK-Compatible VF Implementation

  311. Innovation: What Thinking Outside the Box Actually Means

  312. 3D Molecular Visualization with Avogadro

  313. Casual Saturdays - Turtles All The Way Down

  314. Open Source Cheminformatics Tools and Data

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

  316. Beginning of the End for ACS Journal Print Editions

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

  318. Nifty GitHub Features: Integrated Issue Tracking

  319. Casual Saturdays: Linked Data

  320. MX-1.0 Beta 1

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

  322. Small Libraries and GitHub: Applet-Fu

  323. On This Day In Organic Chemistry, 1874

  324. RESTful Substructure Search

  325. Painless Source Code Highlighting with Prettify

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

  327. Name That Graph

  328. Still More Free Chemistry Databases and Web Services

  329. Forking ONS Challenge Solubility Code on GitHub

  330. Downloadable eMolecules Datasets

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

  332. Casual Saturdays: Repurpose

  333. Updating Ruby CDK

  334. Science Doesn't Need Journals

  335. Building Chemistry Communities

  336. Learning from StackOverflow: Building Chemistry Communities

  337. Scientific Blogging - Ignore It and Be Ignored?

  338. Casual Saturdays: Correlation

  339. The First InChIKey Collision

  340. CouchDB for Chemistry

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

  342. Antisocial Journals

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

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

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

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

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

  348. ACS To Suspend Print Publication of All Journals

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

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

  351. Casual Saturdays: Building Blocks

  352. Cheminformatics, Crowds, and Cha-Ching

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

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

  355. Casual Saturdays: Twittervision

  356. What's Up With Chempedia?

  357. Sixty-Four Free Chemistry Databases

  358. Casual Saturdays: What's Phase 2?

  359. Interconvert Database Formats in Rails with YamlDB

  360. Substructure Search Idoms: Hydrogen Means Block Substitution

  361. The Bikeshed Effect

  362. $299 ChemWriter Domain Licenses During March

  363. Broken Business Models and Bailouts

  364. Cheminformatics and Micropublication in Chemistry

  365. What the Heck is RDF?

  366. What the Heck is the Semantic Web?

  367. Zusammen: The Other Half of the Story

  368. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  371. Casual Saturdays: Popular Belief

  372. Chemical Substructure Search in SQL

  373. Chemical Informatics Guys Don't Get It

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

  375. Web-Centric Science

  376. Scaling Up Scientific Conversation

  377. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  381. Casual Saturdays: Bobby Tables

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

  383. Open Benchmarks for Cheminformatics: Working with Japex

  384. Merb on JRuby

  385. Exhaustive Ring Perception With MX

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

  387. The Electronic Laboratory Notebook Trap

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

  389. Exhaustive Ring Perception

  390. Reading and Writing SD Files With MX

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

  392. Mr. InChI - Tear Down This Wall

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

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

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

  396. Open Benchmarks for Cheminformatics

  397. Choose Java for Speed

  398. Reading SMILES with MX

  399. Five Questions About the InChI Resolver

  400. Open Source Cheminformatics in Python with MX

  401. Flexible Depth-First Search With MX

  402. Goodbye Subversion, Hello Git and GitHub

  403. Getting Started with MX

  404. Casual Saturdays: Complexity

  405. ChemPhoto Beta-2

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

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

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

  409. One of These Things is Not Like The Others

  410. Casual Saturdays: Business Plan

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

  412. Billions and Billions

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

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

  415. ChemPhoto Beta-1 Now Available

  416. Flying Coach

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

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

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

  420. Casual Saturdays: Shoulders of Giants

  421. PubChem WTF #1

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

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

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

  425. Name That Graph

  426. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  430. What Good is a Scientific Blog?

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

  432. Casual Saturdays: Blind Trust

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

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

  435. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  437. Casual Saturdays: Balkanization

  438. Your Favorite Chemical Spreadsheet

  439. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  445. JavaScript for Cheminformatics - Using the Prototype Framework

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

  447. Encapsulated PostScript for Cheminformatics

  448. Casual Saturdays: There is No Shelf

  449. Grand Challenges in Cheminformatics

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

  451. Casual Saturdays: Mundaneum

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

  453. Validating CAS Numbers

  454. Vector Markup Language for Cheminformatics

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

  456. JavaScript for Cheminformatics

  457. Casual Saturdays: Kinetic Sculpture

  458. 3D Molecule Viewer on the iPhone

  459. Extending InChI Stereochemistry

  460. Scientific Commons: Cleaning Up Science's Basement

  461. Casual Saturdays: How Important is Science Education?

  462. Open Babel 2.2.0

  463. Building Chempedia: Learning About Contributors

  464. ChemWriter 1.3.1

  465. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  466. 3D Molecular Visualization on the Web: OpenAstexViewer

  467. Screencast: Drawing Structures Quickly With ChemWriter

  468. Better Structure Drawing With ChemWriter 1.3.0

  469. Casual Saturdays: A Thousand Years of Darkness

  470. Extreme Data Visualization

  471. Chemistry, The Web, and Netflix

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

  473. Casual Saturdays: Google AppEngine

  474. The Other Vector Graphics Markup Language

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

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

  477. A Simple and Portable Ruby Interface to InChI

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

  479. Small Molecule 3D Coordinates From PubChem

  480. Building Chempedia: Social Networking Applied to Chemistry

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

  482. Building Chempedia - Resizable Structures With ChemWriter

  483. Casual Saturdays: Thinking Inside the Box

  484. Building Chempedia: The Human Element

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

  486. Building Chempedia - Start Simple, Then Iterate

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

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

  489. 1908 and All That: The Long Tail and Chemistry

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

  491. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  492. Just a Flesh Wound

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

  494. Solve Web Application Scaling Problems With Signed Applets

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

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

  497. Building a Technology Company the Old-Fashioned Way

  498. Is reCAPTCHA Trying to Tell Me Something?

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

  500. Yet Another Free Chemistry Database: Pherobase

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

  502. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  504. Casual Saturdays: Periodicity is Just a Theory

  505. ACS Loses $27 Million Case Against Leadscope

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

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

  508. Open Access: Think Globally, Act Locally

  509. NIH Hears Publisher Feedback on Open Access Mandate

  510. Cheminformatics Puzzler #1

  511. Startup School 2008 at Stanford

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

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

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

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

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

  517. How Would Your Cheminformatics Tool Do This?

  518. Casual Saturdays: APOD

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

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

  521. Swing Sightings: SciFinder Web Version

  522. Casual Saturdays: Steampunk

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

  524. Testing Automatic Chemical Structure Recognition with OSRA

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

  526. How Would Your Cheminformatics Tool Do This?

  527. Raiding Chemistry's Data Tombs

  528. Casual Saturdays: Nano

  529. Hacking JSpecView - Enhancing the User Interface

  530. Molecule of the Day: Carminic Acid

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

  532. Filthy Rich Clients

  533. Hacking JSpecView - Creating an HTML Test Harness

  534. Casual Saturdays: Pareidolia

  535. How Would Your Cheminformatics Tool Do This?

  536. Swing Sightings: LigandScout

  537. Hacking JSpecView - Getting Organized with Ant

  538. An Introduction to JSpecView

  539. The New Scientific Publishers

  540. Casual Saturdays: Verge

  541. How Would Your Cheminformatics Tool Do This?

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

  543. Swing Sightings: Chenomx NMR Suite

  544. Science Blogging Anthology Now in Print

  545. ChemWriter Now Available for Download

  546. Casual Saturdays: Nanosolar

  547. My Favorite Eclipse Shortcut - Quick Fix

  548. How Would Your Cheminformatics Tool Do This?

  549. Subscribe to Depth-First by Email

  550. The Fundamental Cheminformatics Toolset

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

  552. A New Beginning or More of the Same?

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

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

  555. How Would Your Cheminformatics Tool Do This?

  556. Casual Saturdays: Entrepreneurship

  557. Security and the Online Chemical Catalog

  558. Simple 3D Conformer Generation with Smi23D

  559. How Would Your Cheminformatics Tool Do This?

  560. Run Babel Anywhere Java Runs with JBabel

  561. Casual Saturdays: Daybreak

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

  563. How Would Your Cheminformatics Tool Do This?

  564. Signal to Noise and the Chemistry Blog

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

  566. Casual Saturdays: Perspective

  567. How Would Your Cheminformatics Tool Do This?

  568. How Would Your Cheminformatics Tool Do This?

  569. SMILES and Aromaticity: Broken?

  570. ChemWriter, Chemical Structures, and the Web

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

  572. Casual Saturdays: Hackintosh

  573. How Would Your Cheminformatics Tool Do This?

  574. Simple Installation of Rubidium

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

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

  577. Casual Saturdays: Cynical Dreamer

  578. Why Web Development is Hard

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

  580. Making the Case: OpenSMILES

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

  582. Parsing SD Files with Ruby and Rubidium

  583. Casual Saturdays: How Television Works

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

  585. How Would Your Cheminformatics Tool Do This?

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

  587. Cheminformatics for Ruby - Getting Started with Rubidium

  588. How Would Your Cheminformatics Tool Do This?

  589. Casual Saturdays: Wikipedia in 2001

  590. Eolas and jActivating - Working Around a Workaround

  591. How Would Your Cheminformatics Tool Do This?

  592. JInChI - Run InChI Anywhere Java Runs

  593. How Would Your Cheminformatics Tool Do This?

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

  595. Casual Saturdays: The Four Elements

  596. Building Rubidium - Creating a RubyForge Project Space

  597. Casual Saturdays: Vishnu

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

  599. How Would Your Cheminformatics Tool Do This?

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

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

  602. Casual Saturdays: Argument Clinic

  603. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

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

  605. How Would Your Cheminformatics Tool Do This?

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

  607. JRuby for Cheminformatics - Parsing SMILES Simply

  608. Five Reasons to Start Using JRuby Now

  609. Casual Saturdays: Truthiness

  610. What Makes Wikipedia Tick?

  611. Ruby CDK for Newbies

  612. Designing the Obvious: Permalinks and Paradigms

  613. Can Your Cheminformatics Tool Do This?

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

  615. Casual Saturdays: Wwwwwipeout

  616. Designing the Obvious

  617. InChI for Newbies

  618. PubChem for Newbies

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

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

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

  622. Taming the Wild Things

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

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

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

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

  627. Casual Saturdays: On Conformity

  628. Name That Graph

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

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

  631. OwnTerms: Legal Templates for the Rest of Us

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

  633. Casual Saturdays: Pretty Cool, Huh?

  634. Science Meets YouTube: Embedded JoVE Videos

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

  636. Name That Graph Revealed - Oligarchy 2.0

  637. Modern Approaches to Data Visualization

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

  639. Fighting Comment Spam on the Cheap with CAPTCHA

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

  641. Name That Graph

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

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

  644. ScienceHack: YouTube Meets Chemistry

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

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

  647. Five Ways to Use PubChem Right Now

  648. Googling for Molecules with InChIMatic and Firefly

  649. Java Interface to PubChem's Power User Gateway

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

  651. James Gosling Unplugged

  652. Ten Things That Surprised Me About Blogging

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

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

  655. Name That Graph

  656. The Best 55 Online Periodic Tables

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

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

  659. Conversations with James

  660. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  667. Waldorf Salad

  668. Yet Another Free Chemistry Database: Heterocycles Web Edition

  669. PubChem is a Platform

  670. Manage Your Bibliography with Firefox and Zotero

  671. Starting, Quitting, and Finishing

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

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

  674. Hacking CiteULike - Metascripting with Ruby and Session

  675. Open Notebook Science Using InChIMatic

  676. Everything is Miscellaneous

  677. We Don't Need No Stinkin' Copyright

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

  679. Buggotea: The Problem with Abundance

  680. Can Your Cheminformatics Tool Do This?

  681. Hacking PubChem - Learning to Speak PUG

  682. Hacking PubChem - Power User Gateway

  683. Open Access in Organic Chemistry

  684. RESTful Cheminformatics

  685. Just Say 'No' to Pentavalent Carbon

  686. Flex, Rich Internet Applications, and Cheminformatics

  687. Name That Graph

  688. Simple CAS Number Lookup with PubChem

  689. My InChI Runneth Over

  690. Interactive Ruby Open Babel

  691. Scientific Publication and the Seven Deadly Sins

  692. Hashing InChIs

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

  694. Update: InChI Canonicalization Algorithm

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

  696. Golden Rules for Open Source

  697. Strings and Things

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

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

  700. Self-Referential

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

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

  703. Roll Your Own Chemical Database With Free Components

  704. Structure Diagram Generation

  705. Painless Installation of Ruby Open Babel

  706. Can Your Cheminformatics Tool Do This?

  707. Creating Canonical SMILES with Ruby Open Babel

  708. The Aesthetics of Chemical Structure Diagrams

  709. Rethinking the Command Line for Chemistry

  710. Source Code, Science, and Advertising

  711. Why I Still Don't Use Connotea

  712. SciLink: Science Meets Facebook

  713. Customize InChI Output with Rino

  714. Software, Science, and Startups

  715. Do You Use the Command Line?

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

  717. From IUPAC Name to Molecular Formula with Ruby CDK

  718. Web 2.0 and Chemistry

  719. Yet Another Free Chemistry Database: FooDB

  720. Why the Web Isn't Ready for Chemistry

  721. Bountiful Quantities of Useless Features

  722. Bryan Vickery on What's Broken in Cheminformatics

  723. Googling for Molecules: New and Improved InChIMatic

  724. InChI Spam

  725. Making the Case - Flux-2

  726. The Power of Simple

  727. Octet Fundamentals - Immutable Molecules

  728. Google for Molecules with InChIMatic

  729. Twist and Shout

  730. Woz on Design and Constraints

  731. What's Broken in Cheminformatics?

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

  733. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  739. Thirty-Two Free Chemistry Databases

  740. Making the Case: Topological Maximum Cross Correlation

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

  742. Making the Case: Personal Chemistry Client

  743. Collective Intelligence and the Dumbness of Crowds

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

  745. The Scientific Debate: Digg Meets Science?

  746. ChemRefer: Free Direct Access to the Primary Literature

  747. Decoding InChIs: An Introduction to Ninja

  748. FlexMol and Axial Chirality: N-Arylacrylanilides

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

  750. The Axial Chirality Problem

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

  752. Copyright 2.0 and Open Science

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

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

  755. Dispelling Open Source Confusion: An Introduction to Licenses

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

  757. The (Chemical Information) World is Flat

  758. Scaffolding

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

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

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

  762. Anatomy of a Cheminformatics Web Application: InChIMatic

  763. Making the Case: Similarity by Compression

  764. The Problem with Ferrocene

  765. Hacking Molbank: Creating a Graphical Table of Contents

  766. BioRails

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

  768. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  769. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  771. We Have Met the Enemy and He Is Us

  772. The Open Access Ecosystem

  773. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  774. Scripting Molecular Fingerprints with Ruby CDK

  775. Build a Rails Cheminformatics Application in Thirty Minutes

  776. Unchaining Chemistry from the Desktop

  777. Visualizing Cheminformatics Algorithms

  778. Electric Cars and Open Access

  779. Diversity-Oriented Chemical Informatics

  780. Eleven Free Cheminformatics Scripting Environments

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

  782. Name That Graph

  783. Look Ma, No Applets!

  784. Debabelization

  785. Twelve Free Chemistry Databases

  786. Stone Soup

  787. From SMILES to InChI with OBRuby

  788. Stone Knives and Bear Skins

  789. OBRuby: A Ruby Interface to Open Babel

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

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

  792. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  795. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  799. Compiling C to Java Bytecode

  800. Decoding IUPAC Names With OPSIN

  801. Making the Case

  802. Software That Just Works

  803. Running Ruby Java Bridge on Windows

  804. Hacking PubChem: Direct Access with FTP

  805. Hacking PubChem: Free Speech or Free Beer?

  806. Looking at InChIs

  807. CDK, the Ruby Way: RCDK-0.2.0

  808. Hacking PubChem: Entrez Programming Utilities

  809. Mashups for Fun and Profit

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

  811. Hacking PubChem: Query by SMILES

  812. Point and Shoot Chemical Informatics Software

  813. Decoding InChIs with Rino

  814. Toward an Open, Worldwide Chemical Information Network

  815. Taking a SWIG of InChI

  816. CDK, the Ruby Way

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

  818. Visualizing IUPAC Names with ChemNomParse

  819. Chemical Nomenclature Translation

  820. Generating and Serving 2-D Molecular SVGs

  821. Chemical Reviews on Wikipedia

  822. Rendering Molecules with SVG on the Web

  823. The Automatic Encoding of Chemical Structures

  824. Hacking NMRShiftDB

  825. Peculiarities of Chemical Information

  826. Humanizing Line Notations

  827. Hacking PubChem with Ruby

  828. Drawing 2-D Structures with Structure-CDK

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

  830. Scripting Java Libraries with Ruby Java Bridge

  831. Computational Perception and Recognition of Digitized Molecular Structures

  832. Scripting CDK with JRuby

  833. Readily Available, Without Infringements or Restrictions

  834. Scripting Octet with JRuby

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

  836. Opportunities for Alternative Suppliers of Secondary Chemical Information

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

  838. History of Abstracting at Chemical Abstracts Service

  839. 107 Years of Line-Formula Notations (1861-1968)

  840. Ruby and InChI: The Rino Library

  841. Reading Behavior of Chemists

  842. ChemRuby First Look

  843. Changes

  844. InChI Canonicalization Algorithm