Archive

  1. Toward a Standard InChI Formal Grammar

  2. Element-to-Atom Mapping in InChI

  3. Trey: A Toolkit for V3000 Molfiles and RGfiles

  4. Introducing Balsa

  5. 18 SMILES Problems as Seen through Twitter Polls

  6. ProtoSMILES

  7. A Dedicated Library for Reading and Writing V3000 CTfiles

  8. TUCAN Canonicalization Revisited

  9. TUCAN Canonicalization

  10. Molecular Identification with TUCAN

  11. An Introduction to DataWarrior

  12. Python Extensions in Pure Rust with Rust-CPython

  13. Big Reaction Data

  14. V3000 Molfile Enhanced Stereochemistry Representation

  15. Graphs from Scratch in Python

  16. Penny Codes

  17. Stereochemistry and the V2000 Molfile Format

  18. A Beginner's Guide to Parsing in Rust

  19. MDL Valence-Mageddon

  20. Ten Reasons to Adopt the V3000 Molfile Format

  21. Typed JavaScript

  22. Types without TypeScript

  23. Molecular Graph Canonicalization

  24. Beyond SMILES

  25. A Rust PostgreSQL Extension for CAS Numbers

  26. Postgres Extensions in Rust

  27. The RDKit/Postgres Ordered Substructure Search Problem

  28. Running the RDKit Postgres Cartridge with Docker

  29. The Trouble with Hückel

  30. Writing Aromatic SMILES

  31. Delocalization-Induced Molecular Equality

  32. Molecular Assembly Index

  33. Standard InChI

  34. Of Zero-Order Bonds and Bonding Systems

  35. InChI Syntax

  36. An Introduction to the ChemDraw CDXML Format

  37. Running InChI Anywhere with WebAssembly

  38. Parsing InChI: It's Complicated

  39. Purr: A SMILES Toolkit for Rust

  40. Fast Hydrogen Counting in SMILES

  41. Benchmarking Iteration from a Rust Trait

  42. Matched Molecular Pairs

  43. SMILES Formal Grammar Revisited

  44. Abstract Syntax Trees for SMILES

  45. A Workbench for Machine Learning in Chemistry

  46. SMILES Reading Performance: RDKit vs ChemCore

  47. Start Seeing Valence and Core Electrons

  48. Running a SMILES Validation Benchmark

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

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

  51. Getting Started with DeepChem

  52. Saying No to Browser UI Frameworks

  53. A Smallest Set of Smallest Rings

  54. SMILES Validation in the Browser

  55. Getting Started with RDKit and Jupyter

  56. Python Extensions in Pure Rust with PyO3

  57. Wrapping Rust Types as Python Classes

  58. A Guide to Molecular Standardization

  59. Reading Large SDfiles in Rust

  60. The SDfile Format

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

  62. Compiling Rust to WebAssembly: A Simple Example

  63. Returning Rust Iterators

  64. OxMol: Rust/Python Bindings for ChemCore

  65. Hydrogen Suppression in SMILES

  66. ChemCore: A Cheminformatics Toolkit for Rust

  67. Let's Build a SMILES Parser in Rust

  68. Hydrogen Suppression in Cheminformatics

  69. Cheminformatics in Rust: Implementing a Minimal Molecule API

  70. Stereochemistry and Atom Parity in SMILES

  71. Multi-Atom Bonding in Cheminformatics

  72. SMILES Formal Grammar

  73. Hydrogen Suppression in Molfiles

  74. A Minimal Molecule API

  75. COVID MoonShot

  76. Azithromycin and COVID-19

  77. Formal Charge and Bond Order are Side Effects

  78. A Brief Introduction to Graph Convolutional Networks

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

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

  81. Graphs in Rust: Introducing Gamma

  82. A Comprehensive Treatment of Aromaticity in the SMILES Language

  83. Graphs in Rust: An Introduction to Petgraph

  84. Rust Ownership by Example

  85. Rust for Cheminformatics

  86. First Steps in WebAssembly: Hello World

  87. A Minimal Graph API

  88. Virtual Hydrogens

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

  90. Security Theater and the Blockchain Project

  91. Compiling InChI to WebAssembly Part 1: Hello InChI

  92. JavaScript for Cheminformatics, Part 2

  93. The SMILES Substructure Search Fallacy

  94. The Maximum Matching Problem

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

  96. Class-Free Object-Oriented Programming

  97. The Language of Organic Chemistry

  98. Distributed Chemistry

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

  100. The NextMove Patent Reaction Dataset

  101. Scanner-Driven Parser Development

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

  103. Computing Extended Connectivity Fingerprints

  104. The Horrifying Future of Scientific Communication

  105. Planes, Trains, and Organic Syntheses

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

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

  108. A Second Failed Test of ACS Articles on Request

  109. Chemical Structure Copy and Paste Problems

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

  111. Solving Organic Chemistry's Oldest Problem

  112. Evernote as an Electronic Lab Notebook (ELN)

  113. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  116. Copyright for Chemists

  117. Anonymous Science and the Survival of BlogSyn

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

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

  120. Reshoring Pharma Jobs

  121. Ambassador for Chemistry?

  122. How to Get a Job Like Mine

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

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

  125. Two Windows are Better Than One

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

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

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

  129. Why Organic Chemistry is Like Facebook

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

  131. Why ACS Must Come Clean on Journal Publication Costs

  132. Education of a Scientist

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

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

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

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

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

  138. Understanding the PyMOL User Interface

  139. Install PyMOL on Mac OS X Snow Leopard

  140. Install PyMOL on Windows

  141. Install PyMOL on Ubuntu Linux

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

  143. An Introduction to Foldit

  144. Easily Install PyMOL on Mac OSX

  145. How to Validate CAS Registry Numbers in JavaScript

  146. Display Inline SVG Using the <img> Tag

  147. Similarity-Potency Trees

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

  149. Shoreline: A Google Closure Project Template

  150. Sixty-Four Free Chemistry Databases

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

  152. Learn WebGL by Building a 3D Molecule Viewer

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

  154. Changes

  155. Drugable.com: Web Software for Drug Discovery

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

  157. Standardization in Lab Automation: The SiLA Consortium

  158. Really Drug-Like Molecules

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

  160. Jmol Without Applets Using Websockets

  161. PicoSpin and the Incredible Shrinking Lab

  162. WebGL and What It Means for Chemistry

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

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

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

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

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

  168. Name That Graph

  169. Just Add Points?

  170. The Mysterious Google Chrome SVG Bug Revisited

  171. 200 Countries and 200 Years in 4 Minutes

  172. The Mysterious Google Chrome SVG Bug

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

  174. Atom Labels Now Available in ChemWriter 2

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

  176. Inkspot Science - Pipeline Pilot for the Cloud?

  177. Google Closure - Building Complex Applications with JavaScript

  178. Building ChemWriter 2 - Pivotal Tracker for Project Management

  179. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  180. Jeux Sans Frontieres

  181. ChemWriter 2 Preview

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

  183. The ACS Versus Leadscope Case

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

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

  186. Predicting Synthetic Accessibility

  187. Name That Graph

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

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

  190. The FDA Unique Ingredient Identifier (UNII)

  191. A Lightweight and Portable Java Interface to InChI

  192. Freeform Natural Laws from Experimental Data

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

  194. Poster at the CDD Community Meeting

  195. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  197. Software Downsizing

  198. Node.js

  199. A Brief Introduction to Lawson Numbers

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

  201. Reading and Translating ChemDraw CDX Files with OpenBabel

  202. A Brief Introduction to the ChemDraw CDX File Format

  203. Scrum in Under Ten Minutes

  204. The Graph Traversal Programming Pattern

  205. Goodbye Paper, Hello Mendeley

  206. NoSQL is Web Scale [NSFW]

  207. Google Does a Spinning Molecule Thingie

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

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

  210. Visual Representation of Query Structures

  211. Whyday and Putting Away Your Best Practices

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

  213. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  215. Building ChemWriter 2 - JavaScript All the Way Down

  216. Mirroring PubChem the Easy Way with PubChem Fu

  217. Rational, Self-Maximizing Actors

  218. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  222. Latest CTFile Formats Specification Available Now from Symyx

  223. 1981 Time Capsule: The Future of Newspaper Publication

  224. The Avalanche of Low-Quality Research?

  225. What About Chempedia?

  226. HTML 5, Mobile Devices, and Chemistry

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

  228. Chemical Inventory Systems: Cheminformatics' Problem Child?

  229. Gigabytes of Chemical Information - Now Free for Download

  230. Chemistry Has a Long Tail - Deal With It

  231. How To Kill the DOI System

  232. Two Chemistry Apps for Mobile Devices

  233. Cheminformatics in JavaScript: JChemHub

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

  235. Awesome People: Andrew Warner

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

  237. Wise People

  238. Practical Chemistry on the Web

  239. The Scientist's Dilemma

  240. Wiley DOI Fail

  241. Wanted: A Few Good Chemists

  242. InChI 1.03 Prerelease

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

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

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

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

  247. Chempedia at the Spring ACS

  248. Jeux Sans Frontieres

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

  250. Smaller, Cheaper, More Powerful

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

  252. Why is Chempedia Lab Failing?

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

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

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

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

  257. Quote of the Week: Print References

  258. Everything Old is New Again: WLN in PubChem

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

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

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

  262. PubCouch: Create Your Own Custom PubChem Subset

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

  264. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  265. PubCouch: A CouchDB Interface to PubChem

  266. The Future of PyMOL

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

  268. StructureDB - A Profiling Session

  269. Talking About Chempedia and the Future of Scientific Communication

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

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

  272. Pinpoint Performance Problems with Google Speed Tracer

  273. JavaScript Survival: Screw.Unit

  274. Casting a Wide Net in Cheminformatics

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

  276. Chempedia Data Downloads: Free as in Free

  277. A Clean, Well-Lit Place for Spectra

  278. Warren DeLano

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

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

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

  282. Chempedia Launch Day Wrapup

  283. Building Chempedia: Heroku, DNS, and Propagation

  284. Welcome to Chempedia!

  285. Avogadro 1.0

  286. Tech Fridays: The Web That Wasn't

  287. Chempedia: A Social Medium for Chemical Information

  288. Building Chempedia - Heroku Deployment First Impressions

  289. Tech Fridays: Galaxy Zoo

  290. The SMILES Antipattern

  291. The Future of Scientific Publication - Role Reversal Ahead

  292. Tech Fridays: Google Web Toolkit

  293. Building Chempedia: Deployment with Heroku and EC2

  294. Drug Discovery on the Web

  295. Last Chance to Win a ChemWriter Domain License

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

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

  298. Is the Electronic Laboratory Notebook Doomed?

  299. A RESTful Interface for Toxicity Prediction

  300. Tech Fridays: Google Chrome Frame

  301. Win a Free ChemWriter License for Your Site

  302. Reverse Auction for Specialty Chemicals

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

  304. Casual Saturdays: Optimistic Design

  305. Tech Fridays: PubSubHubbub

  306. Stereochemistry Puzzler: Answers

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

  308. Stereoisomer Generation

  309. Casual Saturdays: Extreme Testing

  310. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  316. Human Computing

  317. The RESTful Chemical Tracking System Part 2 - Resources

  318. The RESTful Chemical Tracking System Part 1 - Introduction

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

  320. Chemical Information and Marketing

  321. Molecular Modeling for Average Joes

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

  323. Casual Saturdays: Never Assume

  324. Linked Chemical Data @ Google TechTalks

  325. Graph Databases and Cheminformatics - Neo4j

  326. Chemcaster - The REST Web API for Cheminformatics

  327. Seventeen GitHub Accounts to Watch in Cheminformatics

  328. MX-1.0 Beta 2

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

  330. Hashing and the Universal Molecular Identifier

  331. Always Be Testing: Using Mockito in MX

  332. Casual Saturdays: Bird's Eye

  333. Porting MX - CDK-Compatible VF Implementation

  334. Innovation: What Thinking Outside the Box Actually Means

  335. 3D Molecular Visualization with Avogadro

  336. Casual Saturdays - Turtles All The Way Down

  337. Open Source Cheminformatics Tools and Data

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

  339. Beginning of the End for ACS Journal Print Editions

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

  341. Nifty GitHub Features: Integrated Issue Tracking

  342. Casual Saturdays: Linked Data

  343. MX-1.0 Beta 1

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

  345. Small Libraries and GitHub: Applet-Fu

  346. On This Day In Organic Chemistry, 1874

  347. RESTful Substructure Search

  348. Painless Source Code Highlighting with Prettify

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

  350. Name That Graph

  351. Still More Free Chemistry Databases and Web Services

  352. Forking ONS Challenge Solubility Code on GitHub

  353. Downloadable eMolecules Datasets

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

  355. Casual Saturdays: Repurpose

  356. Updating Ruby CDK

  357. Science Doesn't Need Journals

  358. Building Chemistry Communities

  359. Learning from StackOverflow: Building Chemistry Communities

  360. Scientific Blogging - Ignore It and Be Ignored?

  361. Casual Saturdays: Correlation

  362. The First InChIKey Collision

  363. CouchDB for Chemistry

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

  365. Antisocial Journals

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

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

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

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

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

  371. ACS To Suspend Print Publication of All Journals

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

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

  374. Casual Saturdays: Building Blocks

  375. Cheminformatics, Crowds, and Cha-Ching

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

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

  378. Casual Saturdays: Twittervision

  379. What's Up With Chempedia?

  380. Sixty-Four Free Chemistry Databases

  381. Casual Saturdays: What's Phase 2?

  382. Interconvert Database Formats in Rails with YamlDB

  383. Substructure Search Idoms: Hydrogen Means Block Substitution

  384. The Bikeshed Effect

  385. $299 ChemWriter Domain Licenses During March

  386. Broken Business Models and Bailouts

  387. Cheminformatics and Micropublication in Chemistry

  388. What the Heck is RDF?

  389. What the Heck is the Semantic Web?

  390. Zusammen: The Other Half of the Story

  391. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  394. Casual Saturdays: Popular Belief

  395. Chemical Substructure Search in SQL

  396. Chemical Informatics Guys Don't Get It

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

  398. Web-Centric Science

  399. Scaling Up Scientific Conversation

  400. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  404. Casual Saturdays: Bobby Tables

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

  406. Open Benchmarks for Cheminformatics: Working with Japex

  407. Merb on JRuby

  408. Exhaustive Ring Perception With MX

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

  410. The Electronic Laboratory Notebook Trap

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

  412. Exhaustive Ring Perception

  413. Reading and Writing SD Files With MX

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

  415. Mr. InChI - Tear Down This Wall

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

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

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

  419. Open Benchmarks for Cheminformatics

  420. Choose Java for Speed

  421. Reading SMILES with MX

  422. Five Questions About the InChI Resolver

  423. Open Source Cheminformatics in Python with MX

  424. Flexible Depth-First Search With MX

  425. Goodbye Subversion, Hello Git and GitHub

  426. Getting Started with MX

  427. Casual Saturdays: Complexity

  428. ChemPhoto Beta-2

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

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

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

  432. One of These Things is Not Like The Others

  433. Casual Saturdays: Business Plan

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

  435. Billions and Billions

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

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

  438. ChemPhoto Beta-1 Now Available

  439. Flying Coach

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

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

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

  443. Casual Saturdays: Shoulders of Giants

  444. PubChem WTF #1

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

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

  447. Name That Graph

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

  449. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  453. What Good is a Scientific Blog?

  454. Casual Saturdays: Blind Trust

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

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

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

  458. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  460. Casual Saturdays: Balkanization

  461. Your Favorite Chemical Spreadsheet

  462. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  468. JavaScript for Cheminformatics - Using the Prototype Framework

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

  470. Encapsulated PostScript for Cheminformatics

  471. Casual Saturdays: There is No Shelf

  472. Grand Challenges in Cheminformatics

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

  474. Casual Saturdays: Mundaneum

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

  476. Validating CAS Numbers

  477. Vector Markup Language for Cheminformatics

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

  479. JavaScript for Cheminformatics

  480. Casual Saturdays: Kinetic Sculpture

  481. 3D Molecule Viewer on the iPhone

  482. Extending InChI Stereochemistry

  483. Scientific Commons: Cleaning Up Science's Basement

  484. Casual Saturdays: How Important is Science Education?

  485. Open Babel 2.2.0

  486. Building Chempedia: Learning About Contributors

  487. ChemWriter 1.3.1

  488. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  489. 3D Molecular Visualization on the Web: OpenAstexViewer

  490. Screencast: Drawing Structures Quickly With ChemWriter

  491. Better Structure Drawing With ChemWriter 1.3.0

  492. Casual Saturdays: A Thousand Years of Darkness

  493. Extreme Data Visualization

  494. Chemistry, The Web, and Netflix

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

  496. Casual Saturdays: Google AppEngine

  497. The Other Vector Graphics Markup Language

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

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

  500. A Simple and Portable Ruby Interface to InChI

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

  502. Small Molecule 3D Coordinates From PubChem

  503. Building Chempedia: Social Networking Applied to Chemistry

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

  505. Building Chempedia - Resizable Structures With ChemWriter

  506. Casual Saturdays: Thinking Inside the Box

  507. Building Chempedia: The Human Element

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

  509. Building Chempedia - Start Simple, Then Iterate

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

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

  512. 1908 and All That: The Long Tail and Chemistry

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

  514. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  515. Just a Flesh Wound

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

  517. Solve Web Application Scaling Problems With Signed Applets

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

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

  520. Building a Technology Company the Old-Fashioned Way

  521. Is reCAPTCHA Trying to Tell Me Something?

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

  523. Yet Another Free Chemistry Database: Pherobase

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

  525. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  527. Casual Saturdays: Periodicity is Just a Theory

  528. ACS Loses $27 Million Case Against Leadscope

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

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

  531. Open Access: Think Globally, Act Locally

  532. NIH Hears Publisher Feedback on Open Access Mandate

  533. Cheminformatics Puzzler #1

  534. Startup School 2008 at Stanford

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

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

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

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

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

  540. How Would Your Cheminformatics Tool Do This?

  541. Casual Saturdays: APOD

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

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

  544. Swing Sightings: SciFinder Web Version

  545. Casual Saturdays: Steampunk

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

  547. Testing Automatic Chemical Structure Recognition with OSRA

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

  549. How Would Your Cheminformatics Tool Do This?

  550. Raiding Chemistry's Data Tombs

  551. Casual Saturdays: Nano

  552. Hacking JSpecView - Enhancing the User Interface

  553. Molecule of the Day: Carminic Acid

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

  555. Filthy Rich Clients

  556. Hacking JSpecView - Creating an HTML Test Harness

  557. Casual Saturdays: Pareidolia

  558. How Would Your Cheminformatics Tool Do This?

  559. Swing Sightings: LigandScout

  560. Hacking JSpecView - Getting Organized with Ant

  561. An Introduction to JSpecView

  562. The New Scientific Publishers

  563. Casual Saturdays: Verge

  564. How Would Your Cheminformatics Tool Do This?

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

  566. Swing Sightings: Chenomx NMR Suite

  567. Science Blogging Anthology Now in Print

  568. ChemWriter Now Available for Download

  569. Casual Saturdays: Nanosolar

  570. My Favorite Eclipse Shortcut - Quick Fix

  571. How Would Your Cheminformatics Tool Do This?

  572. Subscribe to Depth-First by Email

  573. The Fundamental Cheminformatics Toolset

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

  575. A New Beginning or More of the Same?

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

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

  578. How Would Your Cheminformatics Tool Do This?

  579. Casual Saturdays: Entrepreneurship

  580. Security and the Online Chemical Catalog

  581. Simple 3D Conformer Generation with Smi23D

  582. How Would Your Cheminformatics Tool Do This?

  583. Run Babel Anywhere Java Runs with JBabel

  584. Casual Saturdays: Daybreak

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

  586. How Would Your Cheminformatics Tool Do This?

  587. Signal to Noise and the Chemistry Blog

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

  589. Casual Saturdays: Perspective

  590. How Would Your Cheminformatics Tool Do This?

  591. How Would Your Cheminformatics Tool Do This?

  592. SMILES and Aromaticity: Broken?

  593. ChemWriter, Chemical Structures, and the Web

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

  595. Casual Saturdays: Hackintosh

  596. How Would Your Cheminformatics Tool Do This?

  597. Simple Installation of Rubidium

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

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

  600. Casual Saturdays: Cynical Dreamer

  601. Why Web Development is Hard

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

  603. Making the Case: OpenSMILES

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

  605. Parsing SD Files with Ruby and Rubidium

  606. Casual Saturdays: How Television Works

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

  608. How Would Your Cheminformatics Tool Do This?

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

  610. Cheminformatics for Ruby - Getting Started with Rubidium

  611. How Would Your Cheminformatics Tool Do This?

  612. Casual Saturdays: Wikipedia in 2001

  613. Eolas and jActivating - Working Around a Workaround

  614. How Would Your Cheminformatics Tool Do This?

  615. JInChI - Run InChI Anywhere Java Runs

  616. How Would Your Cheminformatics Tool Do This?

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

  618. Casual Saturdays: The Four Elements

  619. Building Rubidium - Creating a RubyForge Project Space

  620. Casual Saturdays: Vishnu

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

  622. How Would Your Cheminformatics Tool Do This?

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

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

  625. Casual Saturdays: Argument Clinic

  626. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  627. How Would Your Cheminformatics Tool Do This?

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

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

  630. JRuby for Cheminformatics - Parsing SMILES Simply

  631. Five Reasons to Start Using JRuby Now

  632. Casual Saturdays: Truthiness

  633. What Makes Wikipedia Tick?

  634. Ruby CDK for Newbies

  635. Designing the Obvious: Permalinks and Paradigms

  636. Can Your Cheminformatics Tool Do This?

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

  638. Casual Saturdays: Wwwwwipeout

  639. Designing the Obvious

  640. InChI for Newbies

  641. PubChem for Newbies

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

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

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

  645. Taming the Wild Things

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

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

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

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

  650. Casual Saturdays: On Conformity

  651. Name That Graph

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

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

  654. OwnTerms: Legal Templates for the Rest of Us

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

  656. Casual Saturdays: Pretty Cool, Huh?

  657. Science Meets YouTube: Embedded JoVE Videos

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

  659. Name That Graph Revealed - Oligarchy 2.0

  660. Modern Approaches to Data Visualization

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

  662. Fighting Comment Spam on the Cheap with CAPTCHA

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

  664. Name That Graph

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

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

  667. ScienceHack: YouTube Meets Chemistry

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

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

  670. Five Ways to Use PubChem Right Now

  671. Googling for Molecules with InChIMatic and Firefly

  672. Java Interface to PubChem's Power User Gateway

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

  674. James Gosling Unplugged

  675. Ten Things That Surprised Me About Blogging

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

  677. Name That Graph

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

  679. The Best 55 Online Periodic Tables

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

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

  682. Conversations with James

  683. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  690. Waldorf Salad

  691. Yet Another Free Chemistry Database: Heterocycles Web Edition

  692. PubChem is a Platform

  693. Manage Your Bibliography with Firefox and Zotero

  694. Starting, Quitting, and Finishing

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

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

  697. Hacking CiteULike - Metascripting with Ruby and Session

  698. Open Notebook Science Using InChIMatic

  699. Everything is Miscellaneous

  700. We Don't Need No Stinkin' Copyright

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

  702. Buggotea: The Problem with Abundance

  703. Can Your Cheminformatics Tool Do This?

  704. Hacking PubChem - Learning to Speak PUG

  705. Hacking PubChem - Power User Gateway

  706. Open Access in Organic Chemistry

  707. RESTful Cheminformatics

  708. Just Say 'No' to Pentavalent Carbon

  709. Flex, Rich Internet Applications, and Cheminformatics

  710. Name That Graph

  711. Simple CAS Number Lookup with PubChem

  712. My InChI Runneth Over

  713. Interactive Ruby Open Babel

  714. Scientific Publication and the Seven Deadly Sins

  715. Hashing InChIs

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

  717. Update: InChI Canonicalization Algorithm

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

  719. Golden Rules for Open Source

  720. Strings and Things

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

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

  723. Self-Referential

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

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

  726. Roll Your Own Chemical Database With Free Components

  727. Structure Diagram Generation

  728. Painless Installation of Ruby Open Babel

  729. Can Your Cheminformatics Tool Do This?

  730. Creating Canonical SMILES with Ruby Open Babel

  731. The Aesthetics of Chemical Structure Diagrams

  732. Rethinking the Command Line for Chemistry

  733. Source Code, Science, and Advertising

  734. Why I Still Don't Use Connotea

  735. SciLink: Science Meets Facebook

  736. Customize InChI Output with Rino

  737. Software, Science, and Startups

  738. Do You Use the Command Line?

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

  740. From IUPAC Name to Molecular Formula with Ruby CDK

  741. Web 2.0 and Chemistry

  742. Yet Another Free Chemistry Database: FooDB

  743. Why the Web Isn't Ready for Chemistry

  744. Bountiful Quantities of Useless Features

  745. Bryan Vickery on What's Broken in Cheminformatics

  746. InChI Spam

  747. Googling for Molecules: New and Improved InChIMatic

  748. Making the Case - Flux-2

  749. The Power of Simple

  750. Octet Fundamentals - Immutable Molecules

  751. Google for Molecules with InChIMatic

  752. Twist and Shout

  753. Woz on Design and Constraints

  754. What's Broken in Cheminformatics?

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

  756. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  762. Thirty-Two Free Chemistry Databases

  763. Making the Case: Topological Maximum Cross Correlation

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

  765. Making the Case: Personal Chemistry Client

  766. Collective Intelligence and the Dumbness of Crowds

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

  768. The Scientific Debate: Digg Meets Science?

  769. ChemRefer: Free Direct Access to the Primary Literature

  770. Decoding InChIs: An Introduction to Ninja

  771. FlexMol and Axial Chirality: N-Arylacrylanilides

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

  773. The Axial Chirality Problem

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

  775. Copyright 2.0 and Open Science

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

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

  778. Dispelling Open Source Confusion: An Introduction to Licenses

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

  780. The (Chemical Information) World is Flat

  781. Scaffolding

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

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

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

  785. Anatomy of a Cheminformatics Web Application: InChIMatic

  786. Making the Case: Similarity by Compression

  787. The Problem with Ferrocene

  788. Hacking Molbank: Creating a Graphical Table of Contents

  789. BioRails

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

  791. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  792. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  794. We Have Met the Enemy and He Is Us

  795. The Open Access Ecosystem

  796. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  797. Scripting Molecular Fingerprints with Ruby CDK

  798. Build a Rails Cheminformatics Application in Thirty Minutes

  799. Unchaining Chemistry from the Desktop

  800. Visualizing Cheminformatics Algorithms

  801. Electric Cars and Open Access

  802. Diversity-Oriented Chemical Informatics

  803. Eleven Free Cheminformatics Scripting Environments

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

  805. Name That Graph

  806. Look Ma, No Applets!

  807. Debabelization

  808. Twelve Free Chemistry Databases

  809. Stone Soup

  810. From SMILES to InChI with OBRuby

  811. Stone Knives and Bear Skins

  812. OBRuby: A Ruby Interface to Open Babel

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

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

  815. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  818. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  822. Compiling C to Java Bytecode

  823. Decoding IUPAC Names With OPSIN

  824. Making the Case

  825. Running Ruby Java Bridge on Windows

  826. Software That Just Works

  827. Hacking PubChem: Direct Access with FTP

  828. Hacking PubChem: Free Speech or Free Beer?

  829. Looking at InChIs

  830. CDK, the Ruby Way: RCDK-0.2.0

  831. Hacking PubChem: Entrez Programming Utilities

  832. Mashups for Fun and Profit

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

  834. Hacking PubChem: Query by SMILES

  835. Point and Shoot Chemical Informatics Software

  836. Decoding InChIs with Rino

  837. Toward an Open, Worldwide Chemical Information Network

  838. Taking a SWIG of InChI

  839. CDK, the Ruby Way

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

  841. Visualizing IUPAC Names with ChemNomParse

  842. Chemical Nomenclature Translation

  843. Generating and Serving 2-D Molecular SVGs

  844. Chemical Reviews on Wikipedia

  845. Rendering Molecules with SVG on the Web

  846. The Automatic Encoding of Chemical Structures

  847. Hacking NMRShiftDB

  848. Peculiarities of Chemical Information

  849. Humanizing Line Notations

  850. Hacking PubChem with Ruby

  851. Drawing 2-D Structures with Structure-CDK

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

  853. Scripting Java Libraries with Ruby Java Bridge

  854. Computational Perception and Recognition of Digitized Molecular Structures

  855. Scripting CDK with JRuby

  856. Readily Available, Without Infringements or Restrictions

  857. Scripting Octet with JRuby

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

  859. Opportunities for Alternative Suppliers of Secondary Chemical Information

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

  861. History of Abstracting at Chemical Abstracts Service

  862. 107 Years of Line-Formula Notations (1861-1968)

  863. Ruby and InChI: The Rino Library

  864. Reading Behavior of Chemists

  865. ChemRuby First Look

  866. Changes

  867. InChI Canonicalization Algorithm