Archive

  1. A Dedicated Library for Reading and Writing V3000 CTfiles

  2. TUCAN Canonicalization Revisited

  3. TUCAN Canonicalization

  4. Molecular Identification with TUCAN

  5. An Introduction to DataWarrior

  6. Python Extensions in Pure Rust with Rust-CPython

  7. Big Reaction Data

  8. V3000 Molfile Enhanced Stereochemistry Representation

  9. Graphs from Scratch in Python

  10. Penny Codes

  11. Stereochemistry and the V2000 Molfile Format

  12. A Beginner's Guide to Parsing in Rust

  13. MDL Valence-Mageddon

  14. Ten Reasons to Adopt the V3000 Molfile Format

  15. Typed JavaScript

  16. Types without TypeScript

  17. Molecular Graph Canonicalization

  18. Beyond SMILES

  19. A Rust PostgreSQL Extension for CAS Numbers

  20. Postgres Extensions in Rust

  21. The RDKit/Postgres Ordered Substructure Search Problem

  22. Running the RDKit Postgres Cartridge with Docker

  23. The Trouble with Hückel

  24. Writing Aromatic SMILES

  25. Delocalization-Induced Molecular Equality

  26. Molecular Assembly Index

  27. Standard InChI

  28. Of Zero-Order Bonds and Bonding Systems

  29. InChI Syntax

  30. An Introduction to the ChemDraw CDXML Format

  31. Running InChI Anywhere with WebAssembly

  32. Parsing InChI: It's Complicated

  33. Purr: A SMILES Toolkit for Rust

  34. Fast Hydrogen Counting in SMILES

  35. Benchmarking Iteration from a Rust Trait

  36. Matched Molecular Pairs

  37. SMILES Formal Grammar Revisited

  38. Abstract Syntax Trees for SMILES

  39. A Workbench for Machine Learning in Chemistry

  40. SMILES Reading Performance: RDKit vs ChemCore

  41. Start Seeing Valence and Core Electrons

  42. Running a SMILES Validation Benchmark

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

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

  45. Getting Started with DeepChem

  46. Saying No to Browser UI Frameworks

  47. A Smallest Set of Smallest Rings

  48. SMILES Validation in the Browser

  49. Getting Started with RDKit and Jupyter

  50. Python Extensions in Pure Rust with PyO3

  51. Wrapping Rust Types as Python Classes

  52. A Guide to Molecular Standardization

  53. Reading Large SDfiles in Rust

  54. The SDfile Format

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

  56. Compiling Rust to WebAssembly: A Simple Example

  57. Returning Rust Iterators

  58. OxMol: Rust/Python Bindings for ChemCore

  59. Hydrogen Suppression in SMILES

  60. ChemCore: A Cheminformatics Toolkit for Rust

  61. Let's Build a SMILES Parser in Rust

  62. Hydrogen Suppression in Cheminformatics

  63. Cheminformatics in Rust: Implementing a Minimal Molecule API

  64. Stereochemistry and Atom Parity in SMILES

  65. Multi-Atom Bonding in Cheminformatics

  66. SMILES Formal Grammar

  67. Hydrogen Suppression in Molfiles

  68. A Minimal Molecule API

  69. COVID MoonShot

  70. Azithromycin and COVID-19

  71. Formal Charge and Bond Order are Side Effects

  72. A Brief Introduction to Graph Convolutional Networks

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

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

  75. Graphs in Rust: Introducing Gamma

  76. A Comprehensive Treatment of Aromaticity in the SMILES Language

  77. Graphs in Rust: An Introduction to Petgraph

  78. Rust Ownership by Example

  79. Rust for Cheminformatics

  80. First Steps in WebAssembly: Hello World

  81. A Minimal Graph API

  82. Virtual Hydrogens

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

  84. Security Theater and the Blockchain Project

  85. Compiling InChI to WebAssembly Part 1: Hello InChI

  86. JavaScript for Cheminformatics, Part 2

  87. The SMILES Substructure Search Fallacy

  88. The Maximum Matching Problem

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

  90. Class-Free Object-Oriented Programming

  91. The Language of Organic Chemistry

  92. Distributed Chemistry

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

  94. The NextMove Patent Reaction Dataset

  95. Scanner-Driven Parser Development

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

  97. Computing Extended Connectivity Fingerprints

  98. The Horrifying Future of Scientific Communication

  99. Planes, Trains, and Organic Syntheses

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

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

  102. A Second Failed Test of ACS Articles on Request

  103. Chemical Structure Copy and Paste Problems

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

  105. Solving Organic Chemistry's Oldest Problem

  106. Evernote as an Electronic Lab Notebook (ELN)

  107. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  110. Copyright for Chemists

  111. Anonymous Science and the Survival of BlogSyn

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

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

  114. Reshoring Pharma Jobs

  115. Ambassador for Chemistry?

  116. How to Get a Job Like Mine

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

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

  119. Two Windows are Better Than One

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

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

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

  123. Why Organic Chemistry is Like Facebook

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

  125. Why ACS Must Come Clean on Journal Publication Costs

  126. Education of a Scientist

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

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

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

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

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

  132. Understanding the PyMOL User Interface

  133. Install PyMOL on Mac OS X Snow Leopard

  134. Install PyMOL on Windows

  135. Install PyMOL on Ubuntu Linux

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

  137. An Introduction to Foldit

  138. Easily Install PyMOL on Mac OSX

  139. How to Validate CAS Registry Numbers in JavaScript

  140. Display Inline SVG Using the <img> Tag

  141. Similarity-Potency Trees

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

  143. Shoreline: A Google Closure Project Template

  144. Sixty-Four Free Chemistry Databases

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

  146. Learn WebGL by Building a 3D Molecule Viewer

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

  148. Changes

  149. Drugable.com: Web Software for Drug Discovery

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

  151. Standardization in Lab Automation: The SiLA Consortium

  152. Really Drug-Like Molecules

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

  154. Jmol Without Applets Using Websockets

  155. PicoSpin and the Incredible Shrinking Lab

  156. WebGL and What It Means for Chemistry

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

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

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

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

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

  162. Name That Graph

  163. Just Add Points?

  164. The Mysterious Google Chrome SVG Bug Revisited

  165. 200 Countries and 200 Years in 4 Minutes

  166. The Mysterious Google Chrome SVG Bug

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

  168. Atom Labels Now Available in ChemWriter 2

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

  170. Inkspot Science - Pipeline Pilot for the Cloud?

  171. Google Closure - Building Complex Applications with JavaScript

  172. Building ChemWriter 2 - Pivotal Tracker for Project Management

  173. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  174. Jeux Sans Frontieres

  175. ChemWriter 2 Preview

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

  177. The ACS Versus Leadscope Case

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

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

  180. Predicting Synthetic Accessibility

  181. Name That Graph

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

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

  184. The FDA Unique Ingredient Identifier (UNII)

  185. A Lightweight and Portable Java Interface to InChI

  186. Freeform Natural Laws from Experimental Data

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

  188. Poster at the CDD Community Meeting

  189. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  191. Software Downsizing

  192. Node.js

  193. A Brief Introduction to Lawson Numbers

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

  195. Reading and Translating ChemDraw CDX Files with OpenBabel

  196. A Brief Introduction to the ChemDraw CDX File Format

  197. Scrum in Under Ten Minutes

  198. The Graph Traversal Programming Pattern

  199. Goodbye Paper, Hello Mendeley

  200. NoSQL is Web Scale [NSFW]

  201. Google Does a Spinning Molecule Thingie

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

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

  204. Visual Representation of Query Structures

  205. Whyday and Putting Away Your Best Practices

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

  207. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  209. Building ChemWriter 2 - JavaScript All the Way Down

  210. Mirroring PubChem the Easy Way with PubChem Fu

  211. Rational, Self-Maximizing Actors

  212. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  216. Latest CTFile Formats Specification Available Now from Symyx

  217. 1981 Time Capsule: The Future of Newspaper Publication

  218. The Avalanche of Low-Quality Research?

  219. What About Chempedia?

  220. HTML 5, Mobile Devices, and Chemistry

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

  222. Chemical Inventory Systems: Cheminformatics' Problem Child?

  223. Gigabytes of Chemical Information - Now Free for Download

  224. Chemistry Has a Long Tail - Deal With It

  225. How To Kill the DOI System

  226. Two Chemistry Apps for Mobile Devices

  227. Cheminformatics in JavaScript: JChemHub

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

  229. Awesome People: Andrew Warner

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

  231. Wise People

  232. Practical Chemistry on the Web

  233. The Scientist's Dilemma

  234. Wiley DOI Fail

  235. Wanted: A Few Good Chemists

  236. InChI 1.03 Prerelease

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

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

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

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

  241. Chempedia at the Spring ACS

  242. Jeux Sans Frontieres

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

  244. Smaller, Cheaper, More Powerful

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

  246. Why is Chempedia Lab Failing?

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

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

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

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

  251. Quote of the Week: Print References

  252. Everything Old is New Again: WLN in PubChem

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

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

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

  256. PubCouch: Create Your Own Custom PubChem Subset

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

  258. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  259. PubCouch: A CouchDB Interface to PubChem

  260. The Future of PyMOL

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

  262. StructureDB - A Profiling Session

  263. Talking About Chempedia and the Future of Scientific Communication

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

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

  266. Pinpoint Performance Problems with Google Speed Tracer

  267. JavaScript Survival: Screw.Unit

  268. Casting a Wide Net in Cheminformatics

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

  270. Chempedia Data Downloads: Free as in Free

  271. A Clean, Well-Lit Place for Spectra

  272. Warren DeLano

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

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

  275. Chempedia Launch Day Wrapup

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

  277. Building Chempedia: Heroku, DNS, and Propagation

  278. Welcome to Chempedia!

  279. Avogadro 1.0

  280. Tech Fridays: The Web That Wasn't

  281. Chempedia: A Social Medium for Chemical Information

  282. Building Chempedia - Heroku Deployment First Impressions

  283. Tech Fridays: Galaxy Zoo

  284. The SMILES Antipattern

  285. The Future of Scientific Publication - Role Reversal Ahead

  286. Tech Fridays: Google Web Toolkit

  287. Building Chempedia: Deployment with Heroku and EC2

  288. Drug Discovery on the Web

  289. Last Chance to Win a ChemWriter Domain License

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

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

  292. Is the Electronic Laboratory Notebook Doomed?

  293. A RESTful Interface for Toxicity Prediction

  294. Tech Fridays: Google Chrome Frame

  295. Win a Free ChemWriter License for Your Site

  296. Reverse Auction for Specialty Chemicals

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

  298. Casual Saturdays: Optimistic Design

  299. Tech Fridays: PubSubHubbub

  300. Stereochemistry Puzzler: Answers

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

  302. Stereoisomer Generation

  303. Casual Saturdays: Extreme Testing

  304. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  310. Human Computing

  311. The RESTful Chemical Tracking System Part 2 - Resources

  312. The RESTful Chemical Tracking System Part 1 - Introduction

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

  314. Chemical Information and Marketing

  315. Molecular Modeling for Average Joes

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

  317. Casual Saturdays: Never Assume

  318. Linked Chemical Data @ Google TechTalks

  319. Graph Databases and Cheminformatics - Neo4j

  320. Chemcaster - The REST Web API for Cheminformatics

  321. Seventeen GitHub Accounts to Watch in Cheminformatics

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

  323. MX-1.0 Beta 2

  324. Hashing and the Universal Molecular Identifier

  325. Always Be Testing: Using Mockito in MX

  326. Casual Saturdays: Bird's Eye

  327. Porting MX - CDK-Compatible VF Implementation

  328. Innovation: What Thinking Outside the Box Actually Means

  329. 3D Molecular Visualization with Avogadro

  330. Casual Saturdays - Turtles All The Way Down

  331. Open Source Cheminformatics Tools and Data

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

  333. Beginning of the End for ACS Journal Print Editions

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

  335. Nifty GitHub Features: Integrated Issue Tracking

  336. Casual Saturdays: Linked Data

  337. MX-1.0 Beta 1

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

  339. Small Libraries and GitHub: Applet-Fu

  340. On This Day In Organic Chemistry, 1874

  341. RESTful Substructure Search

  342. Painless Source Code Highlighting with Prettify

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

  344. Name That Graph

  345. Still More Free Chemistry Databases and Web Services

  346. Forking ONS Challenge Solubility Code on GitHub

  347. Downloadable eMolecules Datasets

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

  349. Casual Saturdays: Repurpose

  350. Updating Ruby CDK

  351. Science Doesn't Need Journals

  352. Building Chemistry Communities

  353. Learning from StackOverflow: Building Chemistry Communities

  354. Scientific Blogging - Ignore It and Be Ignored?

  355. Casual Saturdays: Correlation

  356. The First InChIKey Collision

  357. CouchDB for Chemistry

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

  359. Antisocial Journals

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

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

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

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

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

  365. ACS To Suspend Print Publication of All Journals

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

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

  368. Casual Saturdays: Building Blocks

  369. Cheminformatics, Crowds, and Cha-Ching

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

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

  372. Casual Saturdays: Twittervision

  373. What's Up With Chempedia?

  374. Sixty-Four Free Chemistry Databases

  375. Casual Saturdays: What's Phase 2?

  376. Interconvert Database Formats in Rails with YamlDB

  377. Substructure Search Idoms: Hydrogen Means Block Substitution

  378. The Bikeshed Effect

  379. $299 ChemWriter Domain Licenses During March

  380. Broken Business Models and Bailouts

  381. Cheminformatics and Micropublication in Chemistry

  382. What the Heck is RDF?

  383. What the Heck is the Semantic Web?

  384. Zusammen: The Other Half of the Story

  385. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  388. Casual Saturdays: Popular Belief

  389. Chemical Substructure Search in SQL

  390. Chemical Informatics Guys Don't Get It

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

  392. Web-Centric Science

  393. Scaling Up Scientific Conversation

  394. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  398. Casual Saturdays: Bobby Tables

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

  400. Open Benchmarks for Cheminformatics: Working with Japex

  401. Merb on JRuby

  402. Exhaustive Ring Perception With MX

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

  404. The Electronic Laboratory Notebook Trap

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

  406. Exhaustive Ring Perception

  407. Reading and Writing SD Files With MX

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

  409. Mr. InChI - Tear Down This Wall

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

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

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

  413. Open Benchmarks for Cheminformatics

  414. Choose Java for Speed

  415. Reading SMILES with MX

  416. Five Questions About the InChI Resolver

  417. Open Source Cheminformatics in Python with MX

  418. Flexible Depth-First Search With MX

  419. Goodbye Subversion, Hello Git and GitHub

  420. Getting Started with MX

  421. Casual Saturdays: Complexity

  422. ChemPhoto Beta-2

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

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

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

  426. One of These Things is Not Like The Others

  427. Casual Saturdays: Business Plan

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

  429. Billions and Billions

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

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

  432. ChemPhoto Beta-1 Now Available

  433. Flying Coach

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

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

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

  437. Casual Saturdays: Shoulders of Giants

  438. PubChem WTF #1

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

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

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

  442. Name That Graph

  443. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  447. What Good is a Scientific Blog?

  448. Casual Saturdays: Blind Trust

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

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

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

  452. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  454. Casual Saturdays: Balkanization

  455. Your Favorite Chemical Spreadsheet

  456. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  462. JavaScript for Cheminformatics - Using the Prototype Framework

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

  464. Encapsulated PostScript for Cheminformatics

  465. Casual Saturdays: There is No Shelf

  466. Grand Challenges in Cheminformatics

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

  468. Casual Saturdays: Mundaneum

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

  470. Validating CAS Numbers

  471. Vector Markup Language for Cheminformatics

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

  473. JavaScript for Cheminformatics

  474. Casual Saturdays: Kinetic Sculpture

  475. 3D Molecule Viewer on the iPhone

  476. Extending InChI Stereochemistry

  477. Scientific Commons: Cleaning Up Science's Basement

  478. Casual Saturdays: How Important is Science Education?

  479. Open Babel 2.2.0

  480. Building Chempedia: Learning About Contributors

  481. ChemWriter 1.3.1

  482. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  483. 3D Molecular Visualization on the Web: OpenAstexViewer

  484. Screencast: Drawing Structures Quickly With ChemWriter

  485. Better Structure Drawing With ChemWriter 1.3.0

  486. Casual Saturdays: A Thousand Years of Darkness

  487. Extreme Data Visualization

  488. Chemistry, The Web, and Netflix

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

  490. Casual Saturdays: Google AppEngine

  491. The Other Vector Graphics Markup Language

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

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

  494. A Simple and Portable Ruby Interface to InChI

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

  496. Small Molecule 3D Coordinates From PubChem

  497. Building Chempedia: Social Networking Applied to Chemistry

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

  499. Building Chempedia - Resizable Structures With ChemWriter

  500. Casual Saturdays: Thinking Inside the Box

  501. Building Chempedia: The Human Element

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

  503. Building Chempedia - Start Simple, Then Iterate

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

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

  506. 1908 and All That: The Long Tail and Chemistry

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

  508. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  509. Just a Flesh Wound

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

  511. Solve Web Application Scaling Problems With Signed Applets

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

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

  514. Building a Technology Company the Old-Fashioned Way

  515. Is reCAPTCHA Trying to Tell Me Something?

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

  517. Yet Another Free Chemistry Database: Pherobase

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

  519. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  521. Casual Saturdays: Periodicity is Just a Theory

  522. ACS Loses $27 Million Case Against Leadscope

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

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

  525. Open Access: Think Globally, Act Locally

  526. NIH Hears Publisher Feedback on Open Access Mandate

  527. Cheminformatics Puzzler #1

  528. Startup School 2008 at Stanford

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

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

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

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

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

  534. How Would Your Cheminformatics Tool Do This?

  535. Casual Saturdays: APOD

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

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

  538. Swing Sightings: SciFinder Web Version

  539. Casual Saturdays: Steampunk

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

  541. Testing Automatic Chemical Structure Recognition with OSRA

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

  543. How Would Your Cheminformatics Tool Do This?

  544. Raiding Chemistry's Data Tombs

  545. Casual Saturdays: Nano

  546. Hacking JSpecView - Enhancing the User Interface

  547. Molecule of the Day: Carminic Acid

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

  549. Filthy Rich Clients

  550. Hacking JSpecView - Creating an HTML Test Harness

  551. Casual Saturdays: Pareidolia

  552. How Would Your Cheminformatics Tool Do This?

  553. Swing Sightings: LigandScout

  554. Hacking JSpecView - Getting Organized with Ant

  555. An Introduction to JSpecView

  556. The New Scientific Publishers

  557. Casual Saturdays: Verge

  558. How Would Your Cheminformatics Tool Do This?

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

  560. Swing Sightings: Chenomx NMR Suite

  561. Science Blogging Anthology Now in Print

  562. ChemWriter Now Available for Download

  563. Casual Saturdays: Nanosolar

  564. My Favorite Eclipse Shortcut - Quick Fix

  565. How Would Your Cheminformatics Tool Do This?

  566. Subscribe to Depth-First by Email

  567. The Fundamental Cheminformatics Toolset

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

  569. A New Beginning or More of the Same?

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

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

  572. How Would Your Cheminformatics Tool Do This?

  573. Casual Saturdays: Entrepreneurship

  574. Security and the Online Chemical Catalog

  575. Simple 3D Conformer Generation with Smi23D

  576. How Would Your Cheminformatics Tool Do This?

  577. Run Babel Anywhere Java Runs with JBabel

  578. Casual Saturdays: Daybreak

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

  580. How Would Your Cheminformatics Tool Do This?

  581. Signal to Noise and the Chemistry Blog

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

  583. Casual Saturdays: Perspective

  584. How Would Your Cheminformatics Tool Do This?

  585. How Would Your Cheminformatics Tool Do This?

  586. SMILES and Aromaticity: Broken?

  587. ChemWriter, Chemical Structures, and the Web

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

  589. Casual Saturdays: Hackintosh

  590. How Would Your Cheminformatics Tool Do This?

  591. Simple Installation of Rubidium

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

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

  594. Casual Saturdays: Cynical Dreamer

  595. Why Web Development is Hard

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

  597. Making the Case: OpenSMILES

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

  599. Parsing SD Files with Ruby and Rubidium

  600. Casual Saturdays: How Television Works

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

  602. How Would Your Cheminformatics Tool Do This?

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

  604. Cheminformatics for Ruby - Getting Started with Rubidium

  605. How Would Your Cheminformatics Tool Do This?

  606. Casual Saturdays: Wikipedia in 2001

  607. Eolas and jActivating - Working Around a Workaround

  608. How Would Your Cheminformatics Tool Do This?

  609. JInChI - Run InChI Anywhere Java Runs

  610. How Would Your Cheminformatics Tool Do This?

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

  612. Casual Saturdays: The Four Elements

  613. Building Rubidium - Creating a RubyForge Project Space

  614. Casual Saturdays: Vishnu

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

  616. How Would Your Cheminformatics Tool Do This?

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

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

  619. Casual Saturdays: Argument Clinic

  620. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  621. How Would Your Cheminformatics Tool Do This?

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

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

  624. JRuby for Cheminformatics - Parsing SMILES Simply

  625. Five Reasons to Start Using JRuby Now

  626. Casual Saturdays: Truthiness

  627. What Makes Wikipedia Tick?

  628. Ruby CDK for Newbies

  629. Designing the Obvious: Permalinks and Paradigms

  630. Can Your Cheminformatics Tool Do This?

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

  632. Casual Saturdays: Wwwwwipeout

  633. Designing the Obvious

  634. InChI for Newbies

  635. PubChem for Newbies

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

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

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

  639. Taming the Wild Things

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

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

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

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

  644. Casual Saturdays: On Conformity

  645. Name That Graph

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

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

  648. OwnTerms: Legal Templates for the Rest of Us

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

  650. Casual Saturdays: Pretty Cool, Huh?

  651. Science Meets YouTube: Embedded JoVE Videos

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

  653. Name That Graph Revealed - Oligarchy 2.0

  654. Modern Approaches to Data Visualization

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

  656. Fighting Comment Spam on the Cheap with CAPTCHA

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

  658. Name That Graph

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

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

  661. ScienceHack: YouTube Meets Chemistry

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

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

  664. Five Ways to Use PubChem Right Now

  665. Googling for Molecules with InChIMatic and Firefly

  666. Java Interface to PubChem's Power User Gateway

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

  668. James Gosling Unplugged

  669. Ten Things That Surprised Me About Blogging

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

  671. Name That Graph

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

  673. The Best 55 Online Periodic Tables

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

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

  676. Conversations with James

  677. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  684. Waldorf Salad

  685. Yet Another Free Chemistry Database: Heterocycles Web Edition

  686. PubChem is a Platform

  687. Manage Your Bibliography with Firefox and Zotero

  688. Starting, Quitting, and Finishing

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

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

  691. Hacking CiteULike - Metascripting with Ruby and Session

  692. Open Notebook Science Using InChIMatic

  693. Everything is Miscellaneous

  694. We Don't Need No Stinkin' Copyright

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

  696. Buggotea: The Problem with Abundance

  697. Can Your Cheminformatics Tool Do This?

  698. Hacking PubChem - Learning to Speak PUG

  699. Hacking PubChem - Power User Gateway

  700. Open Access in Organic Chemistry

  701. RESTful Cheminformatics

  702. Just Say 'No' to Pentavalent Carbon

  703. Flex, Rich Internet Applications, and Cheminformatics

  704. Name That Graph

  705. Simple CAS Number Lookup with PubChem

  706. My InChI Runneth Over

  707. Interactive Ruby Open Babel

  708. Scientific Publication and the Seven Deadly Sins

  709. Hashing InChIs

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

  711. Update: InChI Canonicalization Algorithm

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

  713. Golden Rules for Open Source

  714. Strings and Things

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

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

  717. Self-Referential

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

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

  720. Roll Your Own Chemical Database With Free Components

  721. Structure Diagram Generation

  722. Painless Installation of Ruby Open Babel

  723. Can Your Cheminformatics Tool Do This?

  724. Creating Canonical SMILES with Ruby Open Babel

  725. The Aesthetics of Chemical Structure Diagrams

  726. Rethinking the Command Line for Chemistry

  727. Source Code, Science, and Advertising

  728. Why I Still Don't Use Connotea

  729. SciLink: Science Meets Facebook

  730. Customize InChI Output with Rino

  731. Software, Science, and Startups

  732. Do You Use the Command Line?

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

  734. From IUPAC Name to Molecular Formula with Ruby CDK

  735. Web 2.0 and Chemistry

  736. Yet Another Free Chemistry Database: FooDB

  737. Why the Web Isn't Ready for Chemistry

  738. Bountiful Quantities of Useless Features

  739. Bryan Vickery on What's Broken in Cheminformatics

  740. Googling for Molecules: New and Improved InChIMatic

  741. InChI Spam

  742. Making the Case - Flux-2

  743. The Power of Simple

  744. Octet Fundamentals - Immutable Molecules

  745. Google for Molecules with InChIMatic

  746. Twist and Shout

  747. Woz on Design and Constraints

  748. What's Broken in Cheminformatics?

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

  750. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  756. Thirty-Two Free Chemistry Databases

  757. Making the Case: Topological Maximum Cross Correlation

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

  759. Making the Case: Personal Chemistry Client

  760. Collective Intelligence and the Dumbness of Crowds

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

  762. The Scientific Debate: Digg Meets Science?

  763. ChemRefer: Free Direct Access to the Primary Literature

  764. Decoding InChIs: An Introduction to Ninja

  765. FlexMol and Axial Chirality: N-Arylacrylanilides

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

  767. The Axial Chirality Problem

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

  769. Copyright 2.0 and Open Science

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

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

  772. Dispelling Open Source Confusion: An Introduction to Licenses

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

  774. The (Chemical Information) World is Flat

  775. Scaffolding

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

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

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

  779. Anatomy of a Cheminformatics Web Application: InChIMatic

  780. Making the Case: Similarity by Compression

  781. The Problem with Ferrocene

  782. Hacking Molbank: Creating a Graphical Table of Contents

  783. BioRails

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

  785. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  786. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  788. We Have Met the Enemy and He Is Us

  789. The Open Access Ecosystem

  790. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  791. Scripting Molecular Fingerprints with Ruby CDK

  792. Build a Rails Cheminformatics Application in Thirty Minutes

  793. Unchaining Chemistry from the Desktop

  794. Visualizing Cheminformatics Algorithms

  795. Electric Cars and Open Access

  796. Diversity-Oriented Chemical Informatics

  797. Eleven Free Cheminformatics Scripting Environments

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

  799. Name That Graph

  800. Look Ma, No Applets!

  801. Debabelization

  802. Twelve Free Chemistry Databases

  803. Stone Soup

  804. From SMILES to InChI with OBRuby

  805. Stone Knives and Bear Skins

  806. OBRuby: A Ruby Interface to Open Babel

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

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

  809. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  812. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  816. Compiling C to Java Bytecode

  817. Decoding IUPAC Names With OPSIN

  818. Making the Case

  819. Running Ruby Java Bridge on Windows

  820. Software That Just Works

  821. Hacking PubChem: Direct Access with FTP

  822. Hacking PubChem: Free Speech or Free Beer?

  823. Looking at InChIs

  824. CDK, the Ruby Way: RCDK-0.2.0

  825. Hacking PubChem: Entrez Programming Utilities

  826. Mashups for Fun and Profit

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

  828. Hacking PubChem: Query by SMILES

  829. Point and Shoot Chemical Informatics Software

  830. Decoding InChIs with Rino

  831. Toward an Open, Worldwide Chemical Information Network

  832. Taking a SWIG of InChI

  833. CDK, the Ruby Way

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

  835. Visualizing IUPAC Names with ChemNomParse

  836. Chemical Nomenclature Translation

  837. Generating and Serving 2-D Molecular SVGs

  838. Chemical Reviews on Wikipedia

  839. Rendering Molecules with SVG on the Web

  840. The Automatic Encoding of Chemical Structures

  841. Hacking NMRShiftDB

  842. Peculiarities of Chemical Information

  843. Humanizing Line Notations

  844. Hacking PubChem with Ruby

  845. Drawing 2-D Structures with Structure-CDK

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

  847. Scripting Java Libraries with Ruby Java Bridge

  848. Computational Perception and Recognition of Digitized Molecular Structures

  849. Scripting CDK with JRuby

  850. Readily Available, Without Infringements or Restrictions

  851. Scripting Octet with JRuby

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

  853. Opportunities for Alternative Suppliers of Secondary Chemical Information

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

  855. History of Abstracting at Chemical Abstracts Service

  856. 107 Years of Line-Formula Notations (1861-1968)

  857. Ruby and InChI: The Rino Library

  858. Reading Behavior of Chemists

  859. ChemRuby First Look

  860. Changes

  861. InChI Canonicalization Algorithm