Archive

  1. The Witness

  2. Opting out of Optune

  3. DCA and Me

  4. Crystal Gardens

  5. The Geiger Counter

  6. Living with Glioblastoma

  7. Beating Swords into Ploughshares

  8. Growing Pains

  9. Sowing Seeds on Rocky Soil

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

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

  12. Beware Oncologists Bearing Hope

  13. Dichloroacetate

  14. Progression

  15. The California End of Life Option Act

  16. Just Saying "No" to Adjuvant Temozolomide

  17. George

  18. Chemoradiotherapy

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

  20. Tumor Board

  21. The Ambiguously Alarming Brain MRI

  22. The Principle of Least Convenience

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

  24. Deconditioning, Rehabilitation, and Independence

  25. Fall Guy

  26. Buried Alive

  27. Dealing with Brain MRIs

  28. Physical and Cognitive Impairments

  29. The G-Word

  30. Reflections on My Brain Surgery

  31. Brain Surgery or Die in Three Months

  32. The Scary Stuff

  33. I Finally Get that Brain MRI

  34. ER

  35. Everyone Has a Plan

  36. Using the Typestate Pattern with Rust Traits

  37. Conjugated Cycle Selection

  38. Exhaustive Cycle Enumeration in Rust

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

  40. Rethinking Tautomer Representation

  41. Naive Balsa Canonicalization

  42. Balsa Reference Implementation

  43. Direct Molecular Translation

  44. Reading CTfiles with CTcore

  45. CTfile Character Encoding

  46. Dealing with Delocalization

  47. Beyond Stereochemical Templates

  48. Toward a Standard InChI Formal Grammar

  49. Element-to-Atom Mapping in InChI

  50. Trey: A Toolkit for V3000 Molfiles and RGfiles

  51. Introducing Balsa

  52. 18 SMILES Problems as Seen through Twitter Polls

  53. ProtoSMILES

  54. A Dedicated Library for Reading and Writing V3000 CTfiles

  55. TUCAN Canonicalization Revisited

  56. TUCAN Canonicalization

  57. Molecular Identification with TUCAN

  58. An Introduction to DataWarrior

  59. Python Extensions in Pure Rust with Rust-CPython

  60. Big Reaction Data

  61. V3000 Molfile Enhanced Stereochemistry Representation

  62. Graphs from Scratch in Python

  63. Penny Codes

  64. Stereochemistry and the V2000 Molfile Format

  65. A Beginner's Guide to Parsing in Rust

  66. MDL Valence-Mageddon

  67. Ten Reasons to Adopt the V3000 Molfile Format

  68. Typed JavaScript

  69. Types without TypeScript

  70. Molecular Graph Canonicalization

  71. Beyond SMILES

  72. A Rust PostgreSQL Extension for CAS Numbers

  73. Postgres Extensions in Rust

  74. The RDKit/Postgres Ordered Substructure Search Problem

  75. Running the RDKit Postgres Cartridge with Docker

  76. The Trouble with Hückel

  77. Writing Aromatic SMILES

  78. Delocalization-Induced Molecular Equality

  79. Molecular Assembly Index

  80. Standard InChI

  81. Of Zero-Order Bonds and Bonding Systems

  82. InChI Syntax

  83. An Introduction to the ChemDraw CDXML Format

  84. Running InChI Anywhere with WebAssembly

  85. Parsing InChI: It's Complicated

  86. Purr: A SMILES Toolkit for Rust

  87. Fast Hydrogen Counting in SMILES

  88. Benchmarking Iteration from a Rust Trait

  89. Matched Molecular Pairs

  90. SMILES Formal Grammar Revisited

  91. Abstract Syntax Trees for SMILES

  92. A Workbench for Machine Learning in Chemistry

  93. SMILES Reading Performance: RDKit vs ChemCore

  94. Start Seeing Valence and Core Electrons

  95. Running a SMILES Validation Benchmark

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

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

  98. Getting Started with DeepChem

  99. Saying No to Browser UI Frameworks

  100. A Smallest Set of Smallest Rings

  101. SMILES Validation in the Browser

  102. Getting Started with RDKit and Jupyter

  103. Python Extensions in Pure Rust with PyO3

  104. Wrapping Rust Types as Python Classes

  105. A Guide to Molecular Standardization

  106. Reading Large SDfiles in Rust

  107. The SDfile Format

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

  109. Compiling Rust to WebAssembly: A Simple Example

  110. Returning Rust Iterators

  111. OxMol: Rust/Python Bindings for ChemCore

  112. Hydrogen Suppression in SMILES

  113. ChemCore: A Cheminformatics Toolkit for Rust

  114. Let's Build a SMILES Parser in Rust

  115. Hydrogen Suppression in Cheminformatics

  116. Cheminformatics in Rust: Implementing a Minimal Molecule API

  117. Stereochemistry and Atom Parity in SMILES

  118. Multi-Atom Bonding in Cheminformatics

  119. SMILES Formal Grammar

  120. Hydrogen Suppression in Molfiles

  121. A Minimal Molecule API

  122. COVID MoonShot

  123. Azithromycin and COVID-19

  124. Formal Charge and Bond Order are Side Effects

  125. A Brief Introduction to Graph Convolutional Networks

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

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

  128. Graphs in Rust: Introducing Gamma

  129. A Comprehensive Treatment of Aromaticity in the SMILES Language

  130. Graphs in Rust: An Introduction to Petgraph

  131. Rust Ownership by Example

  132. Rust for Cheminformatics

  133. First Steps in WebAssembly: Hello World

  134. A Minimal Graph API

  135. Virtual Hydrogens

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

  137. Security Theater and the Blockchain Project

  138. Compiling InChI to WebAssembly Part 1: Hello InChI

  139. JavaScript for Cheminformatics, Part 2

  140. The SMILES Substructure Search Fallacy

  141. The Maximum Matching Problem

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

  143. Class-Free Object-Oriented Programming

  144. The Language of Organic Chemistry

  145. Distributed Chemistry

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

  147. The NextMove Patent Reaction Dataset

  148. Scanner-Driven Parser Development

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

  150. Computing Extended Connectivity Fingerprints

  151. The Horrifying Future of Scientific Communication

  152. Planes, Trains, and Organic Syntheses

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

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

  155. A Second Failed Test of ACS Articles on Request

  156. Chemical Structure Copy and Paste Problems

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

  158. Solving Organic Chemistry's Oldest Problem

  159. Evernote as an Electronic Lab Notebook (ELN)

  160. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  163. Copyright for Chemists

  164. Anonymous Science and the Survival of BlogSyn

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

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

  167. Reshoring Pharma Jobs

  168. Ambassador for Chemistry?

  169. How to Get a Job Like Mine

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

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

  172. Two Windows are Better Than One

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

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

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

  176. Why Organic Chemistry is Like Facebook

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

  178. Why ACS Must Come Clean on Journal Publication Costs

  179. Education of a Scientist

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

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

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

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

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

  185. Understanding the PyMOL User Interface

  186. Install PyMOL on Mac OS X Snow Leopard

  187. Install PyMOL on Windows

  188. Install PyMOL on Ubuntu Linux

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

  190. An Introduction to Foldit

  191. Easily Install PyMOL on Mac OSX

  192. How to Validate CAS Registry Numbers in JavaScript

  193. Display Inline SVG Using the <img> Tag

  194. Similarity-Potency Trees

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

  196. Shoreline: A Google Closure Project Template

  197. Sixty-Four Free Chemistry Databases

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

  199. Learn WebGL by Building a 3D Molecule Viewer

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

  201. Changes

  202. Drugable.com: Web Software for Drug Discovery

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

  204. Standardization in Lab Automation: The SiLA Consortium

  205. Really Drug-Like Molecules

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

  207. Jmol Without Applets Using Websockets

  208. PicoSpin and the Incredible Shrinking Lab

  209. WebGL and What It Means for Chemistry

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

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

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

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

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

  215. Name That Graph

  216. Just Add Points?

  217. The Mysterious Google Chrome SVG Bug Revisited

  218. 200 Countries and 200 Years in 4 Minutes

  219. The Mysterious Google Chrome SVG Bug

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

  221. Atom Labels Now Available in ChemWriter 2

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

  223. Inkspot Science - Pipeline Pilot for the Cloud?

  224. Google Closure - Building Complex Applications with JavaScript

  225. Building ChemWriter 2 - Pivotal Tracker for Project Management

  226. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  227. Jeux Sans Frontieres

  228. ChemWriter 2 Preview

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

  230. The ACS Versus Leadscope Case

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

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

  233. Predicting Synthetic Accessibility

  234. Name That Graph

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

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

  237. The FDA Unique Ingredient Identifier (UNII)

  238. A Lightweight and Portable Java Interface to InChI

  239. Freeform Natural Laws from Experimental Data

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

  241. Poster at the CDD Community Meeting

  242. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  244. Software Downsizing

  245. Node.js

  246. A Brief Introduction to Lawson Numbers

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

  248. Reading and Translating ChemDraw CDX Files with OpenBabel

  249. A Brief Introduction to the ChemDraw CDX File Format

  250. Scrum in Under Ten Minutes

  251. The Graph Traversal Programming Pattern

  252. Goodbye Paper, Hello Mendeley

  253. NoSQL is Web Scale [NSFW]

  254. Google Does a Spinning Molecule Thingie

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

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

  257. Visual Representation of Query Structures

  258. Whyday and Putting Away Your Best Practices

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

  260. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  262. Building ChemWriter 2 - JavaScript All the Way Down

  263. Mirroring PubChem the Easy Way with PubChem Fu

  264. Rational, Self-Maximizing Actors

  265. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  269. Latest CTFile Formats Specification Available Now from Symyx

  270. 1981 Time Capsule: The Future of Newspaper Publication

  271. The Avalanche of Low-Quality Research?

  272. What About Chempedia?

  273. HTML 5, Mobile Devices, and Chemistry

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

  275. Chemical Inventory Systems: Cheminformatics' Problem Child?

  276. Gigabytes of Chemical Information - Now Free for Download

  277. Chemistry Has a Long Tail - Deal With It

  278. How To Kill the DOI System

  279. Two Chemistry Apps for Mobile Devices

  280. Cheminformatics in JavaScript: JChemHub

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

  282. Awesome People: Andrew Warner

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

  284. Wise People

  285. Practical Chemistry on the Web

  286. The Scientist's Dilemma

  287. Wiley DOI Fail

  288. Wanted: A Few Good Chemists

  289. InChI 1.03 Prerelease

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

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

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

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

  294. Chempedia at the Spring ACS

  295. Jeux Sans Frontieres

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

  297. Smaller, Cheaper, More Powerful

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

  299. Why is Chempedia Lab Failing?

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

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

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

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

  304. Quote of the Week: Print References

  305. Everything Old is New Again: WLN in PubChem

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

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

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

  309. PubCouch: Create Your Own Custom PubChem Subset

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

  311. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  312. PubCouch: A CouchDB Interface to PubChem

  313. The Future of PyMOL

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

  315. StructureDB - A Profiling Session

  316. Talking About Chempedia and the Future of Scientific Communication

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

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

  319. Pinpoint Performance Problems with Google Speed Tracer

  320. JavaScript Survival: Screw.Unit

  321. Casting a Wide Net in Cheminformatics

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

  323. Chempedia Data Downloads: Free as in Free

  324. A Clean, Well-Lit Place for Spectra

  325. Warren DeLano

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

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

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

  329. Chempedia Launch Day Wrapup

  330. Building Chempedia: Heroku, DNS, and Propagation

  331. Welcome to Chempedia!

  332. Avogadro 1.0

  333. Tech Fridays: The Web That Wasn't

  334. Chempedia: A Social Medium for Chemical Information

  335. Building Chempedia - Heroku Deployment First Impressions

  336. Tech Fridays: Galaxy Zoo

  337. The SMILES Antipattern

  338. The Future of Scientific Publication - Role Reversal Ahead

  339. Tech Fridays: Google Web Toolkit

  340. Building Chempedia: Deployment with Heroku and EC2

  341. Last Chance to Win a ChemWriter Domain License

  342. Drug Discovery on the Web

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

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

  345. Is the Electronic Laboratory Notebook Doomed?

  346. A RESTful Interface for Toxicity Prediction

  347. Tech Fridays: Google Chrome Frame

  348. Win a Free ChemWriter License for Your Site

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

  350. Reverse Auction for Specialty Chemicals

  351. Casual Saturdays: Optimistic Design

  352. Tech Fridays: PubSubHubbub

  353. Stereochemistry Puzzler: Answers

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

  355. Stereoisomer Generation

  356. Casual Saturdays: Extreme Testing

  357. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  363. Human Computing

  364. The RESTful Chemical Tracking System Part 2 - Resources

  365. The RESTful Chemical Tracking System Part 1 - Introduction

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

  367. Chemical Information and Marketing

  368. Molecular Modeling for Average Joes

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

  370. Casual Saturdays: Never Assume

  371. Linked Chemical Data @ Google TechTalks

  372. Graph Databases and Cheminformatics - Neo4j

  373. Chemcaster - The REST Web API for Cheminformatics

  374. Seventeen GitHub Accounts to Watch in Cheminformatics

  375. MX-1.0 Beta 2

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

  377. Hashing and the Universal Molecular Identifier

  378. Always Be Testing: Using Mockito in MX

  379. Casual Saturdays: Bird's Eye

  380. Porting MX - CDK-Compatible VF Implementation

  381. Innovation: What Thinking Outside the Box Actually Means

  382. 3D Molecular Visualization with Avogadro

  383. Casual Saturdays - Turtles All The Way Down

  384. Open Source Cheminformatics Tools and Data

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

  386. Beginning of the End for ACS Journal Print Editions

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

  388. Nifty GitHub Features: Integrated Issue Tracking

  389. Casual Saturdays: Linked Data

  390. MX-1.0 Beta 1

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

  392. Small Libraries and GitHub: Applet-Fu

  393. On This Day In Organic Chemistry, 1874

  394. RESTful Substructure Search

  395. Painless Source Code Highlighting with Prettify

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

  397. Name That Graph

  398. Still More Free Chemistry Databases and Web Services

  399. Forking ONS Challenge Solubility Code on GitHub

  400. Downloadable eMolecules Datasets

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

  402. Casual Saturdays: Repurpose

  403. Updating Ruby CDK

  404. Science Doesn't Need Journals

  405. Building Chemistry Communities

  406. Learning from StackOverflow: Building Chemistry Communities

  407. Scientific Blogging - Ignore It and Be Ignored?

  408. Casual Saturdays: Correlation

  409. The First InChIKey Collision

  410. CouchDB for Chemistry

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

  412. Antisocial Journals

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

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

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

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

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

  418. ACS To Suspend Print Publication of All Journals

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

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

  421. Casual Saturdays: Building Blocks

  422. Cheminformatics, Crowds, and Cha-Ching

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

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

  425. Casual Saturdays: Twittervision

  426. What's Up With Chempedia?

  427. Sixty-Four Free Chemistry Databases

  428. Casual Saturdays: What's Phase 2?

  429. Interconvert Database Formats in Rails with YamlDB

  430. Substructure Search Idoms: Hydrogen Means Block Substitution

  431. The Bikeshed Effect

  432. $299 ChemWriter Domain Licenses During March

  433. Broken Business Models and Bailouts

  434. Cheminformatics and Micropublication in Chemistry

  435. What the Heck is RDF?

  436. What the Heck is the Semantic Web?

  437. Zusammen: The Other Half of the Story

  438. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  441. Casual Saturdays: Popular Belief

  442. Chemical Substructure Search in SQL

  443. Chemical Informatics Guys Don't Get It

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

  445. Web-Centric Science

  446. Scaling Up Scientific Conversation

  447. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  451. Casual Saturdays: Bobby Tables

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

  453. Open Benchmarks for Cheminformatics: Working with Japex

  454. Merb on JRuby

  455. Exhaustive Ring Perception With MX

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

  457. The Electronic Laboratory Notebook Trap

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

  459. Exhaustive Ring Perception

  460. Reading and Writing SD Files With MX

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

  462. Mr. InChI - Tear Down This Wall

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

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

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

  466. Open Benchmarks for Cheminformatics

  467. Choose Java for Speed

  468. Reading SMILES with MX

  469. Five Questions About the InChI Resolver

  470. Open Source Cheminformatics in Python with MX

  471. Flexible Depth-First Search With MX

  472. Goodbye Subversion, Hello Git and GitHub

  473. Getting Started with MX

  474. Casual Saturdays: Complexity

  475. ChemPhoto Beta-2

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

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

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

  479. One of These Things is Not Like The Others

  480. Casual Saturdays: Business Plan

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

  482. Billions and Billions

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

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

  485. ChemPhoto Beta-1 Now Available

  486. Flying Coach

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

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

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

  490. Casual Saturdays: Shoulders of Giants

  491. PubChem WTF #1

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

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

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

  495. Name That Graph

  496. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  500. What Good is a Scientific Blog?

  501. Casual Saturdays: Blind Trust

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

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

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

  505. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  507. Casual Saturdays: Balkanization

  508. Your Favorite Chemical Spreadsheet

  509. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  515. JavaScript for Cheminformatics - Using the Prototype Framework

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

  517. Encapsulated PostScript for Cheminformatics

  518. Casual Saturdays: There is No Shelf

  519. Grand Challenges in Cheminformatics

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

  521. Casual Saturdays: Mundaneum

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

  523. Validating CAS Numbers

  524. Vector Markup Language for Cheminformatics

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

  526. JavaScript for Cheminformatics

  527. Casual Saturdays: Kinetic Sculpture

  528. 3D Molecule Viewer on the iPhone

  529. Extending InChI Stereochemistry

  530. Scientific Commons: Cleaning Up Science's Basement

  531. Casual Saturdays: How Important is Science Education?

  532. Open Babel 2.2.0

  533. Building Chempedia: Learning About Contributors

  534. ChemWriter 1.3.1

  535. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  536. 3D Molecular Visualization on the Web: OpenAstexViewer

  537. Screencast: Drawing Structures Quickly With ChemWriter

  538. Better Structure Drawing With ChemWriter 1.3.0

  539. Casual Saturdays: A Thousand Years of Darkness

  540. Extreme Data Visualization

  541. Chemistry, The Web, and Netflix

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

  543. Casual Saturdays: Google AppEngine

  544. The Other Vector Graphics Markup Language

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

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

  547. A Simple and Portable Ruby Interface to InChI

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

  549. Small Molecule 3D Coordinates From PubChem

  550. Building Chempedia: Social Networking Applied to Chemistry

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

  552. Building Chempedia - Resizable Structures With ChemWriter

  553. Casual Saturdays: Thinking Inside the Box

  554. Building Chempedia: The Human Element

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

  556. Building Chempedia - Start Simple, Then Iterate

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

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

  559. 1908 and All That: The Long Tail and Chemistry

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

  561. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  562. Just a Flesh Wound

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

  564. Solve Web Application Scaling Problems With Signed Applets

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

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

  567. Building a Technology Company the Old-Fashioned Way

  568. Is reCAPTCHA Trying to Tell Me Something?

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

  570. Yet Another Free Chemistry Database: Pherobase

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

  572. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  574. Casual Saturdays: Periodicity is Just a Theory

  575. ACS Loses $27 Million Case Against Leadscope

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

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

  578. Open Access: Think Globally, Act Locally

  579. NIH Hears Publisher Feedback on Open Access Mandate

  580. Cheminformatics Puzzler #1

  581. Startup School 2008 at Stanford

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

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

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

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

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

  587. How Would Your Cheminformatics Tool Do This?

  588. Casual Saturdays: APOD

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

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

  591. Swing Sightings: SciFinder Web Version

  592. Casual Saturdays: Steampunk

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

  594. Testing Automatic Chemical Structure Recognition with OSRA

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

  596. How Would Your Cheminformatics Tool Do This?

  597. Raiding Chemistry's Data Tombs

  598. Casual Saturdays: Nano

  599. Hacking JSpecView - Enhancing the User Interface

  600. Molecule of the Day: Carminic Acid

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

  602. Filthy Rich Clients

  603. Hacking JSpecView - Creating an HTML Test Harness

  604. Casual Saturdays: Pareidolia

  605. How Would Your Cheminformatics Tool Do This?

  606. Swing Sightings: LigandScout

  607. Hacking JSpecView - Getting Organized with Ant

  608. An Introduction to JSpecView

  609. The New Scientific Publishers

  610. Casual Saturdays: Verge

  611. How Would Your Cheminformatics Tool Do This?

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

  613. Swing Sightings: Chenomx NMR Suite

  614. Science Blogging Anthology Now in Print

  615. ChemWriter Now Available for Download

  616. Casual Saturdays: Nanosolar

  617. My Favorite Eclipse Shortcut - Quick Fix

  618. How Would Your Cheminformatics Tool Do This?

  619. Subscribe to Depth-First by Email

  620. The Fundamental Cheminformatics Toolset

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

  622. A New Beginning or More of the Same?

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

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

  625. How Would Your Cheminformatics Tool Do This?

  626. Casual Saturdays: Entrepreneurship

  627. Security and the Online Chemical Catalog

  628. Simple 3D Conformer Generation with Smi23D

  629. How Would Your Cheminformatics Tool Do This?

  630. Run Babel Anywhere Java Runs with JBabel

  631. Casual Saturdays: Daybreak

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

  633. How Would Your Cheminformatics Tool Do This?

  634. Signal to Noise and the Chemistry Blog

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

  636. Casual Saturdays: Perspective

  637. How Would Your Cheminformatics Tool Do This?

  638. How Would Your Cheminformatics Tool Do This?

  639. SMILES and Aromaticity: Broken?

  640. ChemWriter, Chemical Structures, and the Web

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

  642. Casual Saturdays: Hackintosh

  643. How Would Your Cheminformatics Tool Do This?

  644. Simple Installation of Rubidium

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

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

  647. Casual Saturdays: Cynical Dreamer

  648. Why Web Development is Hard

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

  650. Making the Case: OpenSMILES

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

  652. Parsing SD Files with Ruby and Rubidium

  653. Casual Saturdays: How Television Works

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

  655. How Would Your Cheminformatics Tool Do This?

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

  657. Cheminformatics for Ruby - Getting Started with Rubidium

  658. How Would Your Cheminformatics Tool Do This?

  659. Casual Saturdays: Wikipedia in 2001

  660. Eolas and jActivating - Working Around a Workaround

  661. How Would Your Cheminformatics Tool Do This?

  662. JInChI - Run InChI Anywhere Java Runs

  663. How Would Your Cheminformatics Tool Do This?

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

  665. Casual Saturdays: The Four Elements

  666. Building Rubidium - Creating a RubyForge Project Space

  667. Casual Saturdays: Vishnu

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

  669. How Would Your Cheminformatics Tool Do This?

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

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

  672. Casual Saturdays: Argument Clinic

  673. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  674. How Would Your Cheminformatics Tool Do This?

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

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

  677. JRuby for Cheminformatics - Parsing SMILES Simply

  678. Five Reasons to Start Using JRuby Now

  679. Casual Saturdays: Truthiness

  680. What Makes Wikipedia Tick?

  681. Ruby CDK for Newbies

  682. Designing the Obvious: Permalinks and Paradigms

  683. Can Your Cheminformatics Tool Do This?

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

  685. Casual Saturdays: Wwwwwipeout

  686. Designing the Obvious

  687. InChI for Newbies

  688. PubChem for Newbies

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

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

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

  692. Taming the Wild Things

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

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

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

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

  697. Casual Saturdays: On Conformity

  698. Name That Graph

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

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

  701. OwnTerms: Legal Templates for the Rest of Us

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

  703. Casual Saturdays: Pretty Cool, Huh?

  704. Science Meets YouTube: Embedded JoVE Videos

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

  706. Name That Graph Revealed - Oligarchy 2.0

  707. Modern Approaches to Data Visualization

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

  709. Fighting Comment Spam on the Cheap with CAPTCHA

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

  711. Name That Graph

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

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

  714. ScienceHack: YouTube Meets Chemistry

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

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

  717. Five Ways to Use PubChem Right Now

  718. Googling for Molecules with InChIMatic and Firefly

  719. Java Interface to PubChem's Power User Gateway

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

  721. James Gosling Unplugged

  722. Ten Things That Surprised Me About Blogging

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

  724. Name That Graph

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

  726. The Best 55 Online Periodic Tables

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

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

  729. Conversations with James

  730. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  737. Waldorf Salad

  738. Yet Another Free Chemistry Database: Heterocycles Web Edition

  739. PubChem is a Platform

  740. Manage Your Bibliography with Firefox and Zotero

  741. Starting, Quitting, and Finishing

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

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

  744. Hacking CiteULike - Metascripting with Ruby and Session

  745. Open Notebook Science Using InChIMatic

  746. Everything is Miscellaneous

  747. We Don't Need No Stinkin' Copyright

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

  749. Buggotea: The Problem with Abundance

  750. Can Your Cheminformatics Tool Do This?

  751. Hacking PubChem - Learning to Speak PUG

  752. Hacking PubChem - Power User Gateway

  753. Open Access in Organic Chemistry

  754. RESTful Cheminformatics

  755. Just Say 'No' to Pentavalent Carbon

  756. Flex, Rich Internet Applications, and Cheminformatics

  757. Name That Graph

  758. Simple CAS Number Lookup with PubChem

  759. My InChI Runneth Over

  760. Interactive Ruby Open Babel

  761. Scientific Publication and the Seven Deadly Sins

  762. Hashing InChIs

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

  764. Update: InChI Canonicalization Algorithm

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

  766. Golden Rules for Open Source

  767. Strings and Things

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

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

  770. Self-Referential

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

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

  773. Roll Your Own Chemical Database With Free Components

  774. Structure Diagram Generation

  775. Painless Installation of Ruby Open Babel

  776. Can Your Cheminformatics Tool Do This?

  777. Creating Canonical SMILES with Ruby Open Babel

  778. The Aesthetics of Chemical Structure Diagrams

  779. Rethinking the Command Line for Chemistry

  780. Source Code, Science, and Advertising

  781. Why I Still Don't Use Connotea

  782. SciLink: Science Meets Facebook

  783. Customize InChI Output with Rino

  784. Software, Science, and Startups

  785. Do You Use the Command Line?

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

  787. From IUPAC Name to Molecular Formula with Ruby CDK

  788. Web 2.0 and Chemistry

  789. Yet Another Free Chemistry Database: FooDB

  790. Why the Web Isn't Ready for Chemistry

  791. Bountiful Quantities of Useless Features

  792. Bryan Vickery on What's Broken in Cheminformatics

  793. Googling for Molecules: New and Improved InChIMatic

  794. InChI Spam

  795. Making the Case - Flux-2

  796. The Power of Simple

  797. Octet Fundamentals - Immutable Molecules

  798. Google for Molecules with InChIMatic

  799. Twist and Shout

  800. Woz on Design and Constraints

  801. What's Broken in Cheminformatics?

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

  803. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  809. Thirty-Two Free Chemistry Databases

  810. Making the Case: Topological Maximum Cross Correlation

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

  812. Making the Case: Personal Chemistry Client

  813. Collective Intelligence and the Dumbness of Crowds

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

  815. The Scientific Debate: Digg Meets Science?

  816. ChemRefer: Free Direct Access to the Primary Literature

  817. Decoding InChIs: An Introduction to Ninja

  818. FlexMol and Axial Chirality: N-Arylacrylanilides

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

  820. The Axial Chirality Problem

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

  822. Copyright 2.0 and Open Science

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

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

  825. Dispelling Open Source Confusion: An Introduction to Licenses

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

  827. The (Chemical Information) World is Flat

  828. Scaffolding

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

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

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

  832. Anatomy of a Cheminformatics Web Application: InChIMatic

  833. Making the Case: Similarity by Compression

  834. The Problem with Ferrocene

  835. Hacking Molbank: Creating a Graphical Table of Contents

  836. BioRails

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

  838. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  839. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  841. We Have Met the Enemy and He Is Us

  842. The Open Access Ecosystem

  843. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  844. Scripting Molecular Fingerprints with Ruby CDK

  845. Build a Rails Cheminformatics Application in Thirty Minutes

  846. Unchaining Chemistry from the Desktop

  847. Visualizing Cheminformatics Algorithms

  848. Electric Cars and Open Access

  849. Diversity-Oriented Chemical Informatics

  850. Eleven Free Cheminformatics Scripting Environments

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

  852. Name That Graph

  853. Look Ma, No Applets!

  854. Debabelization

  855. Twelve Free Chemistry Databases

  856. Stone Soup

  857. From SMILES to InChI with OBRuby

  858. Stone Knives and Bear Skins

  859. OBRuby: A Ruby Interface to Open Babel

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

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

  862. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  865. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  869. Compiling C to Java Bytecode

  870. Decoding IUPAC Names With OPSIN

  871. Making the Case

  872. Software That Just Works

  873. Running Ruby Java Bridge on Windows

  874. Hacking PubChem: Direct Access with FTP

  875. Hacking PubChem: Free Speech or Free Beer?

  876. Looking at InChIs

  877. CDK, the Ruby Way: RCDK-0.2.0

  878. Mashups for Fun and Profit

  879. Hacking PubChem: Entrez Programming Utilities

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

  881. Hacking PubChem: Query by SMILES

  882. Point and Shoot Chemical Informatics Software

  883. Decoding InChIs with Rino

  884. Toward an Open, Worldwide Chemical Information Network

  885. Taking a SWIG of InChI

  886. CDK, the Ruby Way

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

  888. Visualizing IUPAC Names with ChemNomParse

  889. Chemical Nomenclature Translation

  890. Generating and Serving 2-D Molecular SVGs

  891. Chemical Reviews on Wikipedia

  892. Rendering Molecules with SVG on the Web

  893. The Automatic Encoding of Chemical Structures

  894. Hacking NMRShiftDB

  895. Peculiarities of Chemical Information

  896. Humanizing Line Notations

  897. Hacking PubChem with Ruby

  898. Drawing 2-D Structures with Structure-CDK

  899. Scripting Java Libraries with Ruby Java Bridge

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

  901. Computational Perception and Recognition of Digitized Molecular Structures

  902. Scripting CDK with JRuby

  903. Readily Available, Without Infringements or Restrictions

  904. Scripting Octet with JRuby

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

  906. Opportunities for Alternative Suppliers of Secondary Chemical Information

  907. History of Abstracting at Chemical Abstracts Service

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

  909. 107 Years of Line-Formula Notations (1861-1968)

  910. Ruby and InChI: The Rino Library

  911. Reading Behavior of Chemists

  912. ChemRuby First Look

  913. Changes

  914. InChI Canonicalization Algorithm