Archive

  1. Exhaustive Cycle Enumeration in Rust

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

  3. Rethinking Tautomer Representation

  4. Naive Balsa Canonicalization

  5. Balsa Reference Implementation

  6. Direct Molecular Translation

  7. Reading CTfiles with CTcore

  8. CTfile Character Encoding

  9. Dealing with Delocalization

  10. Beyond Stereochemical Templates

  11. Toward a Standard InChI Formal Grammar

  12. Element-to-Atom Mapping in InChI

  13. Trey: A Toolkit for V3000 Molfiles and RGfiles

  14. Introducing Balsa

  15. 18 SMILES Problems as Seen through Twitter Polls

  16. ProtoSMILES

  17. A Dedicated Library for Reading and Writing V3000 CTfiles

  18. TUCAN Canonicalization Revisited

  19. TUCAN Canonicalization

  20. Molecular Identification with TUCAN

  21. An Introduction to DataWarrior

  22. Python Extensions in Pure Rust with Rust-CPython

  23. Big Reaction Data

  24. V3000 Molfile Enhanced Stereochemistry Representation

  25. Graphs from Scratch in Python

  26. Penny Codes

  27. Stereochemistry and the V2000 Molfile Format

  28. A Beginner's Guide to Parsing in Rust

  29. MDL Valence-Mageddon

  30. Ten Reasons to Adopt the V3000 Molfile Format

  31. Typed JavaScript

  32. Types without TypeScript

  33. Molecular Graph Canonicalization

  34. Beyond SMILES

  35. A Rust PostgreSQL Extension for CAS Numbers

  36. Postgres Extensions in Rust

  37. The RDKit/Postgres Ordered Substructure Search Problem

  38. Running the RDKit Postgres Cartridge with Docker

  39. The Trouble with Hückel

  40. Writing Aromatic SMILES

  41. Delocalization-Induced Molecular Equality

  42. Molecular Assembly Index

  43. Standard InChI

  44. Of Zero-Order Bonds and Bonding Systems

  45. InChI Syntax

  46. An Introduction to the ChemDraw CDXML Format

  47. Running InChI Anywhere with WebAssembly

  48. Parsing InChI: It's Complicated

  49. Purr: A SMILES Toolkit for Rust

  50. Fast Hydrogen Counting in SMILES

  51. Benchmarking Iteration from a Rust Trait

  52. Matched Molecular Pairs

  53. SMILES Formal Grammar Revisited

  54. Abstract Syntax Trees for SMILES

  55. A Workbench for Machine Learning in Chemistry

  56. SMILES Reading Performance: RDKit vs ChemCore

  57. Start Seeing Valence and Core Electrons

  58. Running a SMILES Validation Benchmark

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

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

  61. Getting Started with DeepChem

  62. Saying No to Browser UI Frameworks

  63. A Smallest Set of Smallest Rings

  64. SMILES Validation in the Browser

  65. Getting Started with RDKit and Jupyter

  66. Python Extensions in Pure Rust with PyO3

  67. Wrapping Rust Types as Python Classes

  68. A Guide to Molecular Standardization

  69. Reading Large SDfiles in Rust

  70. The SDfile Format

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

  72. Compiling Rust to WebAssembly: A Simple Example

  73. Returning Rust Iterators

  74. OxMol: Rust/Python Bindings for ChemCore

  75. Hydrogen Suppression in SMILES

  76. ChemCore: A Cheminformatics Toolkit for Rust

  77. Let's Build a SMILES Parser in Rust

  78. Hydrogen Suppression in Cheminformatics

  79. Cheminformatics in Rust: Implementing a Minimal Molecule API

  80. Stereochemistry and Atom Parity in SMILES

  81. Multi-Atom Bonding in Cheminformatics

  82. SMILES Formal Grammar

  83. Hydrogen Suppression in Molfiles

  84. A Minimal Molecule API

  85. COVID MoonShot

  86. Azithromycin and COVID-19

  87. Formal Charge and Bond Order are Side Effects

  88. A Brief Introduction to Graph Convolutional Networks

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

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

  91. Graphs in Rust: Introducing Gamma

  92. A Comprehensive Treatment of Aromaticity in the SMILES Language

  93. Graphs in Rust: An Introduction to Petgraph

  94. Rust Ownership by Example

  95. Rust for Cheminformatics

  96. First Steps in WebAssembly: Hello World

  97. A Minimal Graph API

  98. Virtual Hydrogens

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

  100. Security Theater and the Blockchain Project

  101. Compiling InChI to WebAssembly Part 1: Hello InChI

  102. JavaScript for Cheminformatics, Part 2

  103. The SMILES Substructure Search Fallacy

  104. The Maximum Matching Problem

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

  106. Class-Free Object-Oriented Programming

  107. The Language of Organic Chemistry

  108. Distributed Chemistry

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

  110. The NextMove Patent Reaction Dataset

  111. Scanner-Driven Parser Development

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

  113. Computing Extended Connectivity Fingerprints

  114. The Horrifying Future of Scientific Communication

  115. Planes, Trains, and Organic Syntheses

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

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

  118. A Second Failed Test of ACS Articles on Request

  119. Chemical Structure Copy and Paste Problems

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

  121. Solving Organic Chemistry's Oldest Problem

  122. Evernote as an Electronic Lab Notebook (ELN)

  123. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  126. Copyright for Chemists

  127. Anonymous Science and the Survival of BlogSyn

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

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

  130. Reshoring Pharma Jobs

  131. Ambassador for Chemistry?

  132. How to Get a Job Like Mine

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

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

  135. Two Windows are Better Than One

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

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

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

  139. Why Organic Chemistry is Like Facebook

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

  141. Why ACS Must Come Clean on Journal Publication Costs

  142. Education of a Scientist

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

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

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

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

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

  148. Understanding the PyMOL User Interface

  149. Install PyMOL on Mac OS X Snow Leopard

  150. Install PyMOL on Windows

  151. Install PyMOL on Ubuntu Linux

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

  153. An Introduction to Foldit

  154. Easily Install PyMOL on Mac OSX

  155. How to Validate CAS Registry Numbers in JavaScript

  156. Display Inline SVG Using the <img> Tag

  157. Similarity-Potency Trees

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

  159. Shoreline: A Google Closure Project Template

  160. Sixty-Four Free Chemistry Databases

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

  162. Learn WebGL by Building a 3D Molecule Viewer

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

  164. Changes

  165. Drugable.com: Web Software for Drug Discovery

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

  167. Standardization in Lab Automation: The SiLA Consortium

  168. Really Drug-Like Molecules

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

  170. Jmol Without Applets Using Websockets

  171. PicoSpin and the Incredible Shrinking Lab

  172. WebGL and What It Means for Chemistry

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

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

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

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

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

  178. Name That Graph

  179. Just Add Points?

  180. The Mysterious Google Chrome SVG Bug Revisited

  181. 200 Countries and 200 Years in 4 Minutes

  182. The Mysterious Google Chrome SVG Bug

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

  184. Atom Labels Now Available in ChemWriter 2

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

  186. Inkspot Science - Pipeline Pilot for the Cloud?

  187. Google Closure - Building Complex Applications with JavaScript

  188. Building ChemWriter 2 - Pivotal Tracker for Project Management

  189. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  190. Jeux Sans Frontieres

  191. ChemWriter 2 Preview

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

  193. The ACS Versus Leadscope Case

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

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

  196. Predicting Synthetic Accessibility

  197. Name That Graph

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

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

  200. The FDA Unique Ingredient Identifier (UNII)

  201. A Lightweight and Portable Java Interface to InChI

  202. Freeform Natural Laws from Experimental Data

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

  204. Poster at the CDD Community Meeting

  205. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  207. Software Downsizing

  208. Node.js

  209. A Brief Introduction to Lawson Numbers

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

  211. Reading and Translating ChemDraw CDX Files with OpenBabel

  212. A Brief Introduction to the ChemDraw CDX File Format

  213. Scrum in Under Ten Minutes

  214. The Graph Traversal Programming Pattern

  215. Goodbye Paper, Hello Mendeley

  216. NoSQL is Web Scale [NSFW]

  217. Google Does a Spinning Molecule Thingie

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

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

  220. Visual Representation of Query Structures

  221. Whyday and Putting Away Your Best Practices

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

  223. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  225. Building ChemWriter 2 - JavaScript All the Way Down

  226. Mirroring PubChem the Easy Way with PubChem Fu

  227. Rational, Self-Maximizing Actors

  228. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  232. Latest CTFile Formats Specification Available Now from Symyx

  233. 1981 Time Capsule: The Future of Newspaper Publication

  234. The Avalanche of Low-Quality Research?

  235. What About Chempedia?

  236. HTML 5, Mobile Devices, and Chemistry

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

  238. Chemical Inventory Systems: Cheminformatics' Problem Child?

  239. Gigabytes of Chemical Information - Now Free for Download

  240. Chemistry Has a Long Tail - Deal With It

  241. How To Kill the DOI System

  242. Two Chemistry Apps for Mobile Devices

  243. Cheminformatics in JavaScript: JChemHub

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

  245. Awesome People: Andrew Warner

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

  247. Wise People

  248. Practical Chemistry on the Web

  249. The Scientist's Dilemma

  250. Wiley DOI Fail

  251. Wanted: A Few Good Chemists

  252. InChI 1.03 Prerelease

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

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

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

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

  257. Chempedia at the Spring ACS

  258. Jeux Sans Frontieres

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

  260. Smaller, Cheaper, More Powerful

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

  262. Why is Chempedia Lab Failing?

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

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

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

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

  267. Quote of the Week: Print References

  268. Everything Old is New Again: WLN in PubChem

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

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

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

  272. PubCouch: Create Your Own Custom PubChem Subset

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

  274. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  275. PubCouch: A CouchDB Interface to PubChem

  276. The Future of PyMOL

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

  278. StructureDB - A Profiling Session

  279. Talking About Chempedia and the Future of Scientific Communication

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

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

  282. Pinpoint Performance Problems with Google Speed Tracer

  283. JavaScript Survival: Screw.Unit

  284. Casting a Wide Net in Cheminformatics

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

  286. Chempedia Data Downloads: Free as in Free

  287. A Clean, Well-Lit Place for Spectra

  288. Warren DeLano

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

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

  291. Chempedia Launch Day Wrapup

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

  293. Welcome to Chempedia!

  294. Building Chempedia: Heroku, DNS, and Propagation

  295. Avogadro 1.0

  296. Tech Fridays: The Web That Wasn't

  297. Chempedia: A Social Medium for Chemical Information

  298. Building Chempedia - Heroku Deployment First Impressions

  299. Tech Fridays: Galaxy Zoo

  300. The SMILES Antipattern

  301. The Future of Scientific Publication - Role Reversal Ahead

  302. Tech Fridays: Google Web Toolkit

  303. Building Chempedia: Deployment with Heroku and EC2

  304. Drug Discovery on the Web

  305. Last Chance to Win a ChemWriter Domain License

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

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

  308. Is the Electronic Laboratory Notebook Doomed?

  309. A RESTful Interface for Toxicity Prediction

  310. Tech Fridays: Google Chrome Frame

  311. Win a Free ChemWriter License for Your Site

  312. Reverse Auction for Specialty Chemicals

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

  314. Casual Saturdays: Optimistic Design

  315. Tech Fridays: PubSubHubbub

  316. Stereochemistry Puzzler: Answers

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

  318. Stereoisomer Generation

  319. Casual Saturdays: Extreme Testing

  320. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  326. Human Computing

  327. The RESTful Chemical Tracking System Part 2 - Resources

  328. The RESTful Chemical Tracking System Part 1 - Introduction

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

  330. Chemical Information and Marketing

  331. Molecular Modeling for Average Joes

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

  333. Casual Saturdays: Never Assume

  334. Linked Chemical Data @ Google TechTalks

  335. Graph Databases and Cheminformatics - Neo4j

  336. Chemcaster - The REST Web API for Cheminformatics

  337. Seventeen GitHub Accounts to Watch in Cheminformatics

  338. MX-1.0 Beta 2

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

  340. Hashing and the Universal Molecular Identifier

  341. Always Be Testing: Using Mockito in MX

  342. Casual Saturdays: Bird's Eye

  343. Porting MX - CDK-Compatible VF Implementation

  344. Innovation: What Thinking Outside the Box Actually Means

  345. 3D Molecular Visualization with Avogadro

  346. Casual Saturdays - Turtles All The Way Down

  347. Open Source Cheminformatics Tools and Data

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

  349. Beginning of the End for ACS Journal Print Editions

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

  351. Nifty GitHub Features: Integrated Issue Tracking

  352. Casual Saturdays: Linked Data

  353. MX-1.0 Beta 1

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

  355. Small Libraries and GitHub: Applet-Fu

  356. On This Day In Organic Chemistry, 1874

  357. RESTful Substructure Search

  358. Painless Source Code Highlighting with Prettify

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

  360. Name That Graph

  361. Still More Free Chemistry Databases and Web Services

  362. Forking ONS Challenge Solubility Code on GitHub

  363. Downloadable eMolecules Datasets

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

  365. Casual Saturdays: Repurpose

  366. Updating Ruby CDK

  367. Science Doesn't Need Journals

  368. Building Chemistry Communities

  369. Learning from StackOverflow: Building Chemistry Communities

  370. Scientific Blogging - Ignore It and Be Ignored?

  371. Casual Saturdays: Correlation

  372. The First InChIKey Collision

  373. CouchDB for Chemistry

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

  375. Antisocial Journals

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

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

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

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

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

  381. ACS To Suspend Print Publication of All Journals

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

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

  384. Casual Saturdays: Building Blocks

  385. Cheminformatics, Crowds, and Cha-Ching

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

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

  388. Casual Saturdays: Twittervision

  389. What's Up With Chempedia?

  390. Sixty-Four Free Chemistry Databases

  391. Casual Saturdays: What's Phase 2?

  392. Interconvert Database Formats in Rails with YamlDB

  393. Substructure Search Idoms: Hydrogen Means Block Substitution

  394. The Bikeshed Effect

  395. $299 ChemWriter Domain Licenses During March

  396. Broken Business Models and Bailouts

  397. Cheminformatics and Micropublication in Chemistry

  398. What the Heck is RDF?

  399. What the Heck is the Semantic Web?

  400. Zusammen: The Other Half of the Story

  401. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  404. Casual Saturdays: Popular Belief

  405. Chemical Substructure Search in SQL

  406. Chemical Informatics Guys Don't Get It

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

  408. Web-Centric Science

  409. Scaling Up Scientific Conversation

  410. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  414. Casual Saturdays: Bobby Tables

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

  416. Open Benchmarks for Cheminformatics: Working with Japex

  417. Merb on JRuby

  418. Exhaustive Ring Perception With MX

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

  420. The Electronic Laboratory Notebook Trap

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

  422. Exhaustive Ring Perception

  423. Reading and Writing SD Files With MX

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

  425. Mr. InChI - Tear Down This Wall

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

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

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

  429. Open Benchmarks for Cheminformatics

  430. Choose Java for Speed

  431. Reading SMILES with MX

  432. Five Questions About the InChI Resolver

  433. Open Source Cheminformatics in Python with MX

  434. Flexible Depth-First Search With MX

  435. Goodbye Subversion, Hello Git and GitHub

  436. Getting Started with MX

  437. Casual Saturdays: Complexity

  438. ChemPhoto Beta-2

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

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

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

  442. One of These Things is Not Like The Others

  443. Casual Saturdays: Business Plan

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

  445. Billions and Billions

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

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

  448. ChemPhoto Beta-1 Now Available

  449. Flying Coach

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

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

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

  453. PubChem WTF #1

  454. Casual Saturdays: Shoulders of Giants

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

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

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

  458. Name That Graph

  459. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  463. What Good is a Scientific Blog?

  464. Casual Saturdays: Blind Trust

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

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

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

  468. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  470. Casual Saturdays: Balkanization

  471. Your Favorite Chemical Spreadsheet

  472. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  478. JavaScript for Cheminformatics - Using the Prototype Framework

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

  480. Encapsulated PostScript for Cheminformatics

  481. Casual Saturdays: There is No Shelf

  482. Grand Challenges in Cheminformatics

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

  484. Casual Saturdays: Mundaneum

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

  486. Validating CAS Numbers

  487. Vector Markup Language for Cheminformatics

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

  489. JavaScript for Cheminformatics

  490. Casual Saturdays: Kinetic Sculpture

  491. 3D Molecule Viewer on the iPhone

  492. Extending InChI Stereochemistry

  493. Scientific Commons: Cleaning Up Science's Basement

  494. Casual Saturdays: How Important is Science Education?

  495. Open Babel 2.2.0

  496. Building Chempedia: Learning About Contributors

  497. ChemWriter 1.3.1

  498. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  499. 3D Molecular Visualization on the Web: OpenAstexViewer

  500. Screencast: Drawing Structures Quickly With ChemWriter

  501. Better Structure Drawing With ChemWriter 1.3.0

  502. Casual Saturdays: A Thousand Years of Darkness

  503. Extreme Data Visualization

  504. Chemistry, The Web, and Netflix

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

  506. Casual Saturdays: Google AppEngine

  507. The Other Vector Graphics Markup Language

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

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

  510. A Simple and Portable Ruby Interface to InChI

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

  512. Small Molecule 3D Coordinates From PubChem

  513. Building Chempedia: Social Networking Applied to Chemistry

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

  515. Building Chempedia - Resizable Structures With ChemWriter

  516. Casual Saturdays: Thinking Inside the Box

  517. Building Chempedia: The Human Element

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

  519. Building Chempedia - Start Simple, Then Iterate

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

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

  522. 1908 and All That: The Long Tail and Chemistry

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

  524. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  525. Just a Flesh Wound

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

  527. Solve Web Application Scaling Problems With Signed Applets

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

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

  530. Building a Technology Company the Old-Fashioned Way

  531. Is reCAPTCHA Trying to Tell Me Something?

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

  533. Yet Another Free Chemistry Database: Pherobase

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

  535. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  537. Casual Saturdays: Periodicity is Just a Theory

  538. ACS Loses $27 Million Case Against Leadscope

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

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

  541. Open Access: Think Globally, Act Locally

  542. NIH Hears Publisher Feedback on Open Access Mandate

  543. Cheminformatics Puzzler #1

  544. Startup School 2008 at Stanford

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

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

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

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

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

  550. How Would Your Cheminformatics Tool Do This?

  551. Casual Saturdays: APOD

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

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

  554. Swing Sightings: SciFinder Web Version

  555. Casual Saturdays: Steampunk

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

  557. Testing Automatic Chemical Structure Recognition with OSRA

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

  559. How Would Your Cheminformatics Tool Do This?

  560. Raiding Chemistry's Data Tombs

  561. Casual Saturdays: Nano

  562. Hacking JSpecView - Enhancing the User Interface

  563. Molecule of the Day: Carminic Acid

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

  565. Filthy Rich Clients

  566. Hacking JSpecView - Creating an HTML Test Harness

  567. Casual Saturdays: Pareidolia

  568. How Would Your Cheminformatics Tool Do This?

  569. Swing Sightings: LigandScout

  570. Hacking JSpecView - Getting Organized with Ant

  571. An Introduction to JSpecView

  572. The New Scientific Publishers

  573. Casual Saturdays: Verge

  574. How Would Your Cheminformatics Tool Do This?

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

  576. Swing Sightings: Chenomx NMR Suite

  577. Science Blogging Anthology Now in Print

  578. ChemWriter Now Available for Download

  579. Casual Saturdays: Nanosolar

  580. My Favorite Eclipse Shortcut - Quick Fix

  581. How Would Your Cheminformatics Tool Do This?

  582. Subscribe to Depth-First by Email

  583. The Fundamental Cheminformatics Toolset

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

  585. A New Beginning or More of the Same?

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

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

  588. How Would Your Cheminformatics Tool Do This?

  589. Casual Saturdays: Entrepreneurship

  590. Security and the Online Chemical Catalog

  591. Simple 3D Conformer Generation with Smi23D

  592. How Would Your Cheminformatics Tool Do This?

  593. Run Babel Anywhere Java Runs with JBabel

  594. Casual Saturdays: Daybreak

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

  596. How Would Your Cheminformatics Tool Do This?

  597. Signal to Noise and the Chemistry Blog

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

  599. Casual Saturdays: Perspective

  600. How Would Your Cheminformatics Tool Do This?

  601. How Would Your Cheminformatics Tool Do This?

  602. SMILES and Aromaticity: Broken?

  603. ChemWriter, Chemical Structures, and the Web

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

  605. Casual Saturdays: Hackintosh

  606. How Would Your Cheminformatics Tool Do This?

  607. Simple Installation of Rubidium

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

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

  610. Casual Saturdays: Cynical Dreamer

  611. Why Web Development is Hard

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

  613. Making the Case: OpenSMILES

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

  615. Parsing SD Files with Ruby and Rubidium

  616. Casual Saturdays: How Television Works

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

  618. How Would Your Cheminformatics Tool Do This?

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

  620. Cheminformatics for Ruby - Getting Started with Rubidium

  621. How Would Your Cheminformatics Tool Do This?

  622. Casual Saturdays: Wikipedia in 2001

  623. Eolas and jActivating - Working Around a Workaround

  624. How Would Your Cheminformatics Tool Do This?

  625. JInChI - Run InChI Anywhere Java Runs

  626. How Would Your Cheminformatics Tool Do This?

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

  628. Casual Saturdays: The Four Elements

  629. Building Rubidium - Creating a RubyForge Project Space

  630. Casual Saturdays: Vishnu

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

  632. How Would Your Cheminformatics Tool Do This?

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

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

  635. Casual Saturdays: Argument Clinic

  636. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

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

  638. How Would Your Cheminformatics Tool Do This?

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

  640. JRuby for Cheminformatics - Parsing SMILES Simply

  641. Five Reasons to Start Using JRuby Now

  642. Casual Saturdays: Truthiness

  643. What Makes Wikipedia Tick?

  644. Ruby CDK for Newbies

  645. Designing the Obvious: Permalinks and Paradigms

  646. Can Your Cheminformatics Tool Do This?

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

  648. Casual Saturdays: Wwwwwipeout

  649. Designing the Obvious

  650. InChI for Newbies

  651. PubChem for Newbies

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

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

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

  655. Taming the Wild Things

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

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

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

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

  660. Casual Saturdays: On Conformity

  661. Name That Graph

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

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

  664. OwnTerms: Legal Templates for the Rest of Us

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

  666. Casual Saturdays: Pretty Cool, Huh?

  667. Science Meets YouTube: Embedded JoVE Videos

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

  669. Name That Graph Revealed - Oligarchy 2.0

  670. Modern Approaches to Data Visualization

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

  672. Fighting Comment Spam on the Cheap with CAPTCHA

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

  674. Name That Graph

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

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

  677. ScienceHack: YouTube Meets Chemistry

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

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

  680. Five Ways to Use PubChem Right Now

  681. Googling for Molecules with InChIMatic and Firefly

  682. Java Interface to PubChem's Power User Gateway

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

  684. James Gosling Unplugged

  685. Ten Things That Surprised Me About Blogging

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

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

  688. Name That Graph

  689. The Best 55 Online Periodic Tables

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

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

  692. Conversations with James

  693. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  700. Waldorf Salad

  701. Yet Another Free Chemistry Database: Heterocycles Web Edition

  702. PubChem is a Platform

  703. Manage Your Bibliography with Firefox and Zotero

  704. Starting, Quitting, and Finishing

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

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

  707. Hacking CiteULike - Metascripting with Ruby and Session

  708. Open Notebook Science Using InChIMatic

  709. Everything is Miscellaneous

  710. We Don't Need No Stinkin' Copyright

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

  712. Buggotea: The Problem with Abundance

  713. Can Your Cheminformatics Tool Do This?

  714. Hacking PubChem - Learning to Speak PUG

  715. Hacking PubChem - Power User Gateway

  716. Open Access in Organic Chemistry

  717. RESTful Cheminformatics

  718. Just Say 'No' to Pentavalent Carbon

  719. Flex, Rich Internet Applications, and Cheminformatics

  720. Name That Graph

  721. Simple CAS Number Lookup with PubChem

  722. My InChI Runneth Over

  723. Interactive Ruby Open Babel

  724. Scientific Publication and the Seven Deadly Sins

  725. Hashing InChIs

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

  727. Update: InChI Canonicalization Algorithm

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

  729. Golden Rules for Open Source

  730. Strings and Things

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

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

  733. Self-Referential

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

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

  736. Roll Your Own Chemical Database With Free Components

  737. Structure Diagram Generation

  738. Painless Installation of Ruby Open Babel

  739. Can Your Cheminformatics Tool Do This?

  740. Creating Canonical SMILES with Ruby Open Babel

  741. The Aesthetics of Chemical Structure Diagrams

  742. Rethinking the Command Line for Chemistry

  743. Source Code, Science, and Advertising

  744. Why I Still Don't Use Connotea

  745. SciLink: Science Meets Facebook

  746. Customize InChI Output with Rino

  747. Software, Science, and Startups

  748. Do You Use the Command Line?

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

  750. From IUPAC Name to Molecular Formula with Ruby CDK

  751. Web 2.0 and Chemistry

  752. Yet Another Free Chemistry Database: FooDB

  753. Why the Web Isn't Ready for Chemistry

  754. Bountiful Quantities of Useless Features

  755. Bryan Vickery on What's Broken in Cheminformatics

  756. Googling for Molecules: New and Improved InChIMatic

  757. InChI Spam

  758. Making the Case - Flux-2

  759. The Power of Simple

  760. Octet Fundamentals - Immutable Molecules

  761. Google for Molecules with InChIMatic

  762. Twist and Shout

  763. Woz on Design and Constraints

  764. What's Broken in Cheminformatics?

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

  766. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  772. Thirty-Two Free Chemistry Databases

  773. Making the Case: Topological Maximum Cross Correlation

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

  775. Making the Case: Personal Chemistry Client

  776. Collective Intelligence and the Dumbness of Crowds

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

  778. The Scientific Debate: Digg Meets Science?

  779. ChemRefer: Free Direct Access to the Primary Literature

  780. FlexMol and Axial Chirality: N-Arylacrylanilides

  781. Decoding InChIs: An Introduction to Ninja

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

  783. The Axial Chirality Problem

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

  785. Copyright 2.0 and Open Science

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

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

  788. Dispelling Open Source Confusion: An Introduction to Licenses

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

  790. The (Chemical Information) World is Flat

  791. Scaffolding

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

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

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

  795. Anatomy of a Cheminformatics Web Application: InChIMatic

  796. Making the Case: Similarity by Compression

  797. The Problem with Ferrocene

  798. Hacking Molbank: Creating a Graphical Table of Contents

  799. BioRails

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

  801. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  802. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  804. We Have Met the Enemy and He Is Us

  805. The Open Access Ecosystem

  806. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  807. Scripting Molecular Fingerprints with Ruby CDK

  808. Build a Rails Cheminformatics Application in Thirty Minutes

  809. Unchaining Chemistry from the Desktop

  810. Visualizing Cheminformatics Algorithms

  811. Electric Cars and Open Access

  812. Diversity-Oriented Chemical Informatics

  813. Eleven Free Cheminformatics Scripting Environments

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

  815. Name That Graph

  816. Look Ma, No Applets!

  817. Debabelization

  818. Twelve Free Chemistry Databases

  819. Stone Soup

  820. From SMILES to InChI with OBRuby

  821. Stone Knives and Bear Skins

  822. OBRuby: A Ruby Interface to Open Babel

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

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

  825. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  828. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  832. Compiling C to Java Bytecode

  833. Decoding IUPAC Names With OPSIN

  834. Making the Case

  835. Running Ruby Java Bridge on Windows

  836. Software That Just Works

  837. Hacking PubChem: Direct Access with FTP

  838. Hacking PubChem: Free Speech or Free Beer?

  839. Looking at InChIs

  840. CDK, the Ruby Way: RCDK-0.2.0

  841. Mashups for Fun and Profit

  842. Hacking PubChem: Entrez Programming Utilities

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

  844. Hacking PubChem: Query by SMILES

  845. Point and Shoot Chemical Informatics Software

  846. Decoding InChIs with Rino

  847. Toward an Open, Worldwide Chemical Information Network

  848. Taking a SWIG of InChI

  849. CDK, the Ruby Way

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

  851. Visualizing IUPAC Names with ChemNomParse

  852. Chemical Nomenclature Translation

  853. Generating and Serving 2-D Molecular SVGs

  854. Chemical Reviews on Wikipedia

  855. Rendering Molecules with SVG on the Web

  856. The Automatic Encoding of Chemical Structures

  857. Hacking NMRShiftDB

  858. Peculiarities of Chemical Information

  859. Humanizing Line Notations

  860. Hacking PubChem with Ruby

  861. Drawing 2-D Structures with Structure-CDK

  862. Scripting Java Libraries with Ruby Java Bridge

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

  864. Computational Perception and Recognition of Digitized Molecular Structures

  865. Scripting CDK with JRuby

  866. Readily Available, Without Infringements or Restrictions

  867. Scripting Octet with JRuby

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

  869. Opportunities for Alternative Suppliers of Secondary Chemical Information

  870. History of Abstracting at Chemical Abstracts Service

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

  872. 107 Years of Line-Formula Notations (1861-1968)

  873. Ruby and InChI: The Rino Library

  874. Reading Behavior of Chemists

  875. ChemRuby First Look

  876. Changes

  877. InChI Canonicalization Algorithm