Archive

  1. Brain Surgery or Die in Three Months

  2. The Scary Stuff

  3. I Finally Get that Brain MRI

  4. ER

  5. Everyone Has a Plan

  6. Using the Typestate Pattern with Rust Traits

  7. Conjugated Cycle Selection

  8. Exhaustive Cycle Enumeration in Rust

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

  10. Rethinking Tautomer Representation

  11. Naive Balsa Canonicalization

  12. Balsa Reference Implementation

  13. Direct Molecular Translation

  14. Reading CTfiles with CTcore

  15. CTfile Character Encoding

  16. Dealing with Delocalization

  17. Beyond Stereochemical Templates

  18. Toward a Standard InChI Formal Grammar

  19. Element-to-Atom Mapping in InChI

  20. Trey: A Toolkit for V3000 Molfiles and RGfiles

  21. Introducing Balsa

  22. 18 SMILES Problems as Seen through Twitter Polls

  23. ProtoSMILES

  24. A Dedicated Library for Reading and Writing V3000 CTfiles

  25. TUCAN Canonicalization Revisited

  26. TUCAN Canonicalization

  27. Molecular Identification with TUCAN

  28. An Introduction to DataWarrior

  29. Python Extensions in Pure Rust with Rust-CPython

  30. Big Reaction Data

  31. V3000 Molfile Enhanced Stereochemistry Representation

  32. Graphs from Scratch in Python

  33. Penny Codes

  34. Stereochemistry and the V2000 Molfile Format

  35. A Beginner's Guide to Parsing in Rust

  36. MDL Valence-Mageddon

  37. Ten Reasons to Adopt the V3000 Molfile Format

  38. Typed JavaScript

  39. Types without TypeScript

  40. Molecular Graph Canonicalization

  41. Beyond SMILES

  42. A Rust PostgreSQL Extension for CAS Numbers

  43. Postgres Extensions in Rust

  44. The RDKit/Postgres Ordered Substructure Search Problem

  45. Running the RDKit Postgres Cartridge with Docker

  46. The Trouble with Hückel

  47. Writing Aromatic SMILES

  48. Delocalization-Induced Molecular Equality

  49. Molecular Assembly Index

  50. Standard InChI

  51. Of Zero-Order Bonds and Bonding Systems

  52. InChI Syntax

  53. An Introduction to the ChemDraw CDXML Format

  54. Running InChI Anywhere with WebAssembly

  55. Parsing InChI: It's Complicated

  56. Purr: A SMILES Toolkit for Rust

  57. Fast Hydrogen Counting in SMILES

  58. Benchmarking Iteration from a Rust Trait

  59. Matched Molecular Pairs

  60. SMILES Formal Grammar Revisited

  61. Abstract Syntax Trees for SMILES

  62. A Workbench for Machine Learning in Chemistry

  63. SMILES Reading Performance: RDKit vs ChemCore

  64. Start Seeing Valence and Core Electrons

  65. Running a SMILES Validation Benchmark

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

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

  68. Getting Started with DeepChem

  69. Saying No to Browser UI Frameworks

  70. A Smallest Set of Smallest Rings

  71. SMILES Validation in the Browser

  72. Getting Started with RDKit and Jupyter

  73. Python Extensions in Pure Rust with PyO3

  74. Wrapping Rust Types as Python Classes

  75. A Guide to Molecular Standardization

  76. Reading Large SDfiles in Rust

  77. The SDfile Format

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

  79. Compiling Rust to WebAssembly: A Simple Example

  80. Returning Rust Iterators

  81. OxMol: Rust/Python Bindings for ChemCore

  82. Hydrogen Suppression in SMILES

  83. ChemCore: A Cheminformatics Toolkit for Rust

  84. Let's Build a SMILES Parser in Rust

  85. Hydrogen Suppression in Cheminformatics

  86. Cheminformatics in Rust: Implementing a Minimal Molecule API

  87. Stereochemistry and Atom Parity in SMILES

  88. Multi-Atom Bonding in Cheminformatics

  89. SMILES Formal Grammar

  90. Hydrogen Suppression in Molfiles

  91. A Minimal Molecule API

  92. COVID MoonShot

  93. Azithromycin and COVID-19

  94. Formal Charge and Bond Order are Side Effects

  95. A Brief Introduction to Graph Convolutional Networks

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

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

  98. Graphs in Rust: Introducing Gamma

  99. A Comprehensive Treatment of Aromaticity in the SMILES Language

  100. Graphs in Rust: An Introduction to Petgraph

  101. Rust Ownership by Example

  102. Rust for Cheminformatics

  103. First Steps in WebAssembly: Hello World

  104. A Minimal Graph API

  105. Virtual Hydrogens

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

  107. Security Theater and the Blockchain Project

  108. Compiling InChI to WebAssembly Part 1: Hello InChI

  109. JavaScript for Cheminformatics, Part 2

  110. The SMILES Substructure Search Fallacy

  111. The Maximum Matching Problem

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

  113. Class-Free Object-Oriented Programming

  114. The Language of Organic Chemistry

  115. Distributed Chemistry

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

  117. The NextMove Patent Reaction Dataset

  118. Scanner-Driven Parser Development

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

  120. Computing Extended Connectivity Fingerprints

  121. The Horrifying Future of Scientific Communication

  122. Planes, Trains, and Organic Syntheses

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

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

  125. A Second Failed Test of ACS Articles on Request

  126. Chemical Structure Copy and Paste Problems

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

  128. Solving Organic Chemistry's Oldest Problem

  129. Evernote as an Electronic Lab Notebook (ELN)

  130. Copyright for Chemists: Promoting Reuse through Open Licensing

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

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

  133. Copyright for Chemists

  134. Anonymous Science and the Survival of BlogSyn

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

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

  137. Reshoring Pharma Jobs

  138. Ambassador for Chemistry?

  139. How to Get a Job Like Mine

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

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

  142. Two Windows are Better Than One

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

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

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

  146. Why Organic Chemistry is Like Facebook

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

  148. Why ACS Must Come Clean on Journal Publication Costs

  149. Education of a Scientist

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

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

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

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

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

  155. Understanding the PyMOL User Interface

  156. Install PyMOL on Mac OS X Snow Leopard

  157. Install PyMOL on Windows

  158. Install PyMOL on Ubuntu Linux

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

  160. An Introduction to Foldit

  161. Easily Install PyMOL on Mac OSX

  162. How to Validate CAS Registry Numbers in JavaScript

  163. Display Inline SVG Using the <img> Tag

  164. Similarity-Potency Trees

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

  166. Shoreline: A Google Closure Project Template

  167. Sixty-Four Free Chemistry Databases

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

  169. Learn WebGL by Building a 3D Molecule Viewer

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

  171. Changes

  172. Drugable.com: Web Software for Drug Discovery

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

  174. Standardization in Lab Automation: The SiLA Consortium

  175. Really Drug-Like Molecules

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

  177. Jmol Without Applets Using Websockets

  178. PicoSpin and the Incredible Shrinking Lab

  179. WebGL and What It Means for Chemistry

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

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

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

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

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

  185. Name That Graph

  186. Just Add Points?

  187. The Mysterious Google Chrome SVG Bug Revisited

  188. 200 Countries and 200 Years in 4 Minutes

  189. The Mysterious Google Chrome SVG Bug

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

  191. Atom Labels Now Available in ChemWriter 2

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

  193. Inkspot Science - Pipeline Pilot for the Cloud?

  194. Google Closure - Building Complex Applications with JavaScript

  195. Building ChemWriter 2 - Pivotal Tracker for Project Management

  196. ChemWriter 2 - Better Structure Editor Deployment Through JavaScript

  197. Jeux Sans Frontieres

  198. ChemWriter 2 Preview

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

  200. The ACS Versus Leadscope Case

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

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

  203. Predicting Synthetic Accessibility

  204. Name That Graph

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

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

  207. The FDA Unique Ingredient Identifier (UNII)

  208. A Lightweight and Portable Java Interface to InChI

  209. Freeform Natural Laws from Experimental Data

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

  211. Poster at the CDD Community Meeting

  212. Cheminformatics Data Pipelining with KNIME - Getting Started

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

  214. Software Downsizing

  215. Node.js

  216. A Brief Introduction to Lawson Numbers

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

  218. Reading and Translating ChemDraw CDX Files with OpenBabel

  219. A Brief Introduction to the ChemDraw CDX File Format

  220. Scrum in Under Ten Minutes

  221. The Graph Traversal Programming Pattern

  222. Goodbye Paper, Hello Mendeley

  223. NoSQL is Web Scale [NSFW]

  224. Google Does a Spinning Molecule Thingie

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

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

  227. Visual Representation of Query Structures

  228. Whyday and Putting Away Your Best Practices

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

  230. ACS Appeals Leadscope Case to Ohio Supreme Court

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

  232. Building ChemWriter 2 - JavaScript All the Way Down

  233. Mirroring PubChem the Easy Way with PubChem Fu

  234. Rational, Self-Maximizing Actors

  235. Symposium: Recent Progress in Chemical Structure Representation

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

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

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

  239. Latest CTFile Formats Specification Available Now from Symyx

  240. 1981 Time Capsule: The Future of Newspaper Publication

  241. The Avalanche of Low-Quality Research?

  242. What About Chempedia?

  243. HTML 5, Mobile Devices, and Chemistry

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

  245. Chemical Inventory Systems: Cheminformatics' Problem Child?

  246. Gigabytes of Chemical Information - Now Free for Download

  247. Chemistry Has a Long Tail - Deal With It

  248. How To Kill the DOI System

  249. Two Chemistry Apps for Mobile Devices

  250. Cheminformatics in JavaScript: JChemHub

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

  252. Awesome People: Andrew Warner

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

  254. Wise People

  255. Practical Chemistry on the Web

  256. The Scientist's Dilemma

  257. Wiley DOI Fail

  258. Wanted: A Few Good Chemists

  259. InChI 1.03 Prerelease

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

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

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

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

  264. Chempedia at the Spring ACS

  265. Jeux Sans Frontieres

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

  267. Smaller, Cheaper, More Powerful

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

  269. Why is Chempedia Lab Failing?

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

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

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

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

  274. Quote of the Week: Print References

  275. Everything Old is New Again: WLN in PubChem

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

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

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

  279. PubCouch: Create Your Own Custom PubChem Subset

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

  281. PubCouch: Install CouchDB on Ubuntu Karmic From Source

  282. PubCouch: A CouchDB Interface to PubChem

  283. The Future of PyMOL

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

  285. StructureDB - A Profiling Session

  286. Talking About Chempedia and the Future of Scientific Communication

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

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

  289. Pinpoint Performance Problems with Google Speed Tracer

  290. JavaScript Survival: Screw.Unit

  291. Casting a Wide Net in Cheminformatics

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

  293. Chempedia Data Downloads: Free as in Free

  294. A Clean, Well-Lit Place for Spectra

  295. Warren DeLano

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

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

  298. Chempedia Launch Day Wrapup

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

  300. Building Chempedia: Heroku, DNS, and Propagation

  301. Welcome to Chempedia!

  302. Avogadro 1.0

  303. Tech Fridays: The Web That Wasn't

  304. Chempedia: A Social Medium for Chemical Information

  305. Building Chempedia - Heroku Deployment First Impressions

  306. Tech Fridays: Galaxy Zoo

  307. The SMILES Antipattern

  308. The Future of Scientific Publication - Role Reversal Ahead

  309. Tech Fridays: Google Web Toolkit

  310. Building Chempedia: Deployment with Heroku and EC2

  311. Drug Discovery on the Web

  312. Last Chance to Win a ChemWriter Domain License

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

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

  315. Is the Electronic Laboratory Notebook Doomed?

  316. A RESTful Interface for Toxicity Prediction

  317. Win a Free ChemWriter License for Your Site

  318. Tech Fridays: Google Chrome Frame

  319. Reverse Auction for Specialty Chemicals

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

  321. Casual Saturdays: Optimistic Design

  322. Tech Fridays: PubSubHubbub

  323. Stereochemistry Puzzler: Answers

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

  325. Stereoisomer Generation

  326. Casual Saturdays: Extreme Testing

  327. Tech Fridays: JavaScript - The Good Parts

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

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

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

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

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

  333. Human Computing

  334. The RESTful Chemical Tracking System Part 2 - Resources

  335. The RESTful Chemical Tracking System Part 1 - Introduction

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

  337. Chemical Information and Marketing

  338. Molecular Modeling for Average Joes

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

  340. Casual Saturdays: Never Assume

  341. Linked Chemical Data @ Google TechTalks

  342. Graph Databases and Cheminformatics - Neo4j

  343. Chemcaster - The REST Web API for Cheminformatics

  344. Seventeen GitHub Accounts to Watch in Cheminformatics

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

  346. MX-1.0 Beta 2

  347. Hashing and the Universal Molecular Identifier

  348. Always Be Testing: Using Mockito in MX

  349. Casual Saturdays: Bird's Eye

  350. Porting MX - CDK-Compatible VF Implementation

  351. Innovation: What Thinking Outside the Box Actually Means

  352. 3D Molecular Visualization with Avogadro

  353. Casual Saturdays - Turtles All The Way Down

  354. Open Source Cheminformatics Tools and Data

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

  356. Beginning of the End for ACS Journal Print Editions

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

  358. Nifty GitHub Features: Integrated Issue Tracking

  359. Casual Saturdays: Linked Data

  360. MX-1.0 Beta 1

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

  362. Small Libraries and GitHub: Applet-Fu

  363. On This Day In Organic Chemistry, 1874

  364. RESTful Substructure Search

  365. Painless Source Code Highlighting with Prettify

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

  367. Name That Graph

  368. Still More Free Chemistry Databases and Web Services

  369. Forking ONS Challenge Solubility Code on GitHub

  370. Downloadable eMolecules Datasets

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

  372. Casual Saturdays: Repurpose

  373. Updating Ruby CDK

  374. Science Doesn't Need Journals

  375. Building Chemistry Communities

  376. Learning from StackOverflow: Building Chemistry Communities

  377. Scientific Blogging - Ignore It and Be Ignored?

  378. Casual Saturdays: Correlation

  379. The First InChIKey Collision

  380. CouchDB for Chemistry

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

  382. Antisocial Journals

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

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

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

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

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

  388. ACS To Suspend Print Publication of All Journals

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

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

  391. Casual Saturdays: Building Blocks

  392. Cheminformatics, Crowds, and Cha-Ching

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

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

  395. Casual Saturdays: Twittervision

  396. What's Up With Chempedia?

  397. Sixty-Four Free Chemistry Databases

  398. Casual Saturdays: What's Phase 2?

  399. Interconvert Database Formats in Rails with YamlDB

  400. Substructure Search Idoms: Hydrogen Means Block Substitution

  401. The Bikeshed Effect

  402. $299 ChemWriter Domain Licenses During March

  403. Broken Business Models and Bailouts

  404. Cheminformatics and Micropublication in Chemistry

  405. What the Heck is RDF?

  406. What the Heck is the Semantic Web?

  407. Zusammen: The Other Half of the Story

  408. Casual Saturdays: The Lazy Path to Enlightenment

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

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

  411. Casual Saturdays: Popular Belief

  412. Chemical Substructure Search in SQL

  413. Chemical Informatics Guys Don't Get It

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

  415. Web-Centric Science

  416. Scaling Up Scientific Conversation

  417. GitHub for Chemistry: Revision Controlled Datasets?

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

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

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

  421. Casual Saturdays: Bobby Tables

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

  423. Open Benchmarks for Cheminformatics: Working with Japex

  424. Merb on JRuby

  425. Exhaustive Ring Perception With MX

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

  427. The Electronic Laboratory Notebook Trap

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

  429. Exhaustive Ring Perception

  430. Reading and Writing SD Files With MX

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

  432. Mr. InChI - Tear Down This Wall

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

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

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

  436. Open Benchmarks for Cheminformatics

  437. Choose Java for Speed

  438. Reading SMILES with MX

  439. Five Questions About the InChI Resolver

  440. Open Source Cheminformatics in Python with MX

  441. Flexible Depth-First Search With MX

  442. Goodbye Subversion, Hello Git and GitHub

  443. Getting Started with MX

  444. Casual Saturdays: Complexity

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

  446. ChemPhoto Beta-2

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

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

  449. One of These Things is Not Like The Others

  450. Casual Saturdays: Business Plan

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

  452. Billions and Billions

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

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

  455. ChemPhoto Beta-1 Now Available

  456. Flying Coach

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

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

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

  460. PubChem WTF #1

  461. Casual Saturdays: Shoulders of Giants

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

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

  464. Name That Graph

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

  466. Recombining Compressed PubChem SD Files with Open Babel

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

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

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

  470. What Good is a Scientific Blog?

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

  472. Casual Saturdays: Blind Trust

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

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

  475. Stack Overflow - Technical Discussion Forums and Modern Chemistry

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

  477. Casual Saturdays: Balkanization

  478. Your Favorite Chemical Spreadsheet

  479. Imaging Chemical Structures with ChemPhoto: WYSIWYG Drawing Settings

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

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

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

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

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

  485. JavaScript for Cheminformatics - Using the Prototype Framework

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

  487. Encapsulated PostScript for Cheminformatics

  488. Casual Saturdays: There is No Shelf

  489. Grand Challenges in Cheminformatics

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

  491. Casual Saturdays: Mundaneum

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

  493. Validating CAS Numbers

  494. Vector Markup Language for Cheminformatics

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

  496. JavaScript for Cheminformatics

  497. Casual Saturdays: Kinetic Sculpture

  498. 3D Molecule Viewer on the iPhone

  499. Extending InChI Stereochemistry

  500. Scientific Commons: Cleaning Up Science's Basement

  501. Casual Saturdays: How Important is Science Education?

  502. Open Babel 2.2.0

  503. Building Chempedia: Learning About Contributors

  504. ChemWriter 1.3.1

  505. GlaxoSmithKline Donates Cancer Genomics Dataset to Public Information Network

  506. 3D Molecular Visualization on the Web: OpenAstexViewer

  507. Screencast: Drawing Structures Quickly With ChemWriter

  508. Better Structure Drawing With ChemWriter 1.3.0

  509. Casual Saturdays: A Thousand Years of Darkness

  510. Extreme Data Visualization

  511. Chemistry, The Web, and Netflix

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

  513. Casual Saturdays: Google AppEngine

  514. The Other Vector Graphics Markup Language

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

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

  517. A Simple and Portable Ruby Interface to InChI

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

  519. Small Molecule 3D Coordinates From PubChem

  520. Building Chempedia: Social Networking Applied to Chemistry

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

  522. Building Chempedia - Resizable Structures With ChemWriter

  523. Casual Saturdays: Thinking Inside the Box

  524. Building Chempedia: The Human Element

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

  526. Building Chempedia - Start Simple, Then Iterate

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

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

  529. 1908 and All That: The Long Tail and Chemistry

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

  531. Cheminformatics Puzzler #2: Planar Chiral Paracyclophanes

  532. Just a Flesh Wound

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

  534. Solve Web Application Scaling Problems With Signed Applets

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

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

  537. Building a Technology Company the Old-Fashioned Way

  538. Is reCAPTCHA Trying to Tell Me Something?

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

  540. Yet Another Free Chemistry Database: Pherobase

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

  542. Chempedia.net - Mashing Up PubChem and Wikipedia

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

  544. Casual Saturdays: Periodicity is Just a Theory

  545. ACS Loses $27 Million Case Against Leadscope

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

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

  548. Open Access: Think Globally, Act Locally

  549. NIH Hears Publisher Feedback on Open Access Mandate

  550. Cheminformatics Puzzler #1

  551. Startup School 2008 at Stanford

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

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

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

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

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

  557. How Would Your Cheminformatics Tool Do This?

  558. Casual Saturdays: APOD

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

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

  561. Swing Sightings: SciFinder Web Version

  562. Casual Saturdays: Steampunk

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

  564. Testing Automatic Chemical Structure Recognition with OSRA

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

  566. How Would Your Cheminformatics Tool Do This?

  567. Raiding Chemistry's Data Tombs

  568. Casual Saturdays: Nano

  569. Hacking JSpecView - Enhancing the User Interface

  570. Molecule of the Day: Carminic Acid

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

  572. Filthy Rich Clients

  573. Hacking JSpecView - Creating an HTML Test Harness

  574. Casual Saturdays: Pareidolia

  575. How Would Your Cheminformatics Tool Do This?

  576. Swing Sightings: LigandScout

  577. Hacking JSpecView - Getting Organized with Ant

  578. An Introduction to JSpecView

  579. The New Scientific Publishers

  580. Casual Saturdays: Verge

  581. How Would Your Cheminformatics Tool Do This?

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

  583. Swing Sightings: Chenomx NMR Suite

  584. Science Blogging Anthology Now in Print

  585. ChemWriter Now Available for Download

  586. Casual Saturdays: Nanosolar

  587. My Favorite Eclipse Shortcut - Quick Fix

  588. How Would Your Cheminformatics Tool Do This?

  589. Subscribe to Depth-First by Email

  590. The Fundamental Cheminformatics Toolset

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

  592. A New Beginning or More of the Same?

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

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

  595. How Would Your Cheminformatics Tool Do This?

  596. Casual Saturdays: Entrepreneurship

  597. Security and the Online Chemical Catalog

  598. Simple 3D Conformer Generation with Smi23D

  599. How Would Your Cheminformatics Tool Do This?

  600. Run Babel Anywhere Java Runs with JBabel

  601. Casual Saturdays: Daybreak

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

  603. How Would Your Cheminformatics Tool Do This?

  604. Signal to Noise and the Chemistry Blog

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

  606. Casual Saturdays: Perspective

  607. How Would Your Cheminformatics Tool Do This?

  608. How Would Your Cheminformatics Tool Do This?

  609. SMILES and Aromaticity: Broken?

  610. ChemWriter, Chemical Structures, and the Web

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

  612. Casual Saturdays: Hackintosh

  613. How Would Your Cheminformatics Tool Do This?

  614. Simple Installation of Rubidium

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

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

  617. Casual Saturdays: Cynical Dreamer

  618. Why Web Development is Hard

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

  620. Making the Case: OpenSMILES

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

  622. Parsing SD Files with Ruby and Rubidium

  623. Casual Saturdays: How Television Works

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

  625. How Would Your Cheminformatics Tool Do This?

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

  627. Cheminformatics for Ruby - Getting Started with Rubidium

  628. How Would Your Cheminformatics Tool Do This?

  629. Casual Saturdays: Wikipedia in 2001

  630. Eolas and jActivating - Working Around a Workaround

  631. How Would Your Cheminformatics Tool Do This?

  632. JInChI - Run InChI Anywhere Java Runs

  633. How Would Your Cheminformatics Tool Do This?

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

  635. Casual Saturdays: The Four Elements

  636. Building Rubidium - Creating a RubyForge Project Space

  637. Casual Saturdays: Vishnu

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

  639. How Would Your Cheminformatics Tool Do This?

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

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

  642. Casual Saturdays: Argument Clinic

  643. JRuby for Cheminformatics - Parsing IUPAC Nomenclature with OPSIN

  644. How Would Your Cheminformatics Tool Do This?

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

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

  647. JRuby for Cheminformatics - Parsing SMILES Simply

  648. Five Reasons to Start Using JRuby Now

  649. Casual Saturdays: Truthiness

  650. What Makes Wikipedia Tick?

  651. Ruby CDK for Newbies

  652. Designing the Obvious: Permalinks and Paradigms

  653. Can Your Cheminformatics Tool Do This?

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

  655. Casual Saturdays: Wwwwwipeout

  656. Designing the Obvious

  657. InChI for Newbies

  658. PubChem for Newbies

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

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

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

  662. Taming the Wild Things

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

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

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

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

  667. Casual Saturdays: On Conformity

  668. Name That Graph

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

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

  671. OwnTerms: Legal Templates for the Rest of Us

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

  673. Casual Saturdays: Pretty Cool, Huh?

  674. Science Meets YouTube: Embedded JoVE Videos

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

  676. Name That Graph Revealed - Oligarchy 2.0

  677. Modern Approaches to Data Visualization

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

  679. Fighting Comment Spam on the Cheap with CAPTCHA

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

  681. Name That Graph

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

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

  684. ScienceHack: YouTube Meets Chemistry

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

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

  687. Five Ways to Use PubChem Right Now

  688. Googling for Molecules with InChIMatic and Firefly

  689. Java Interface to PubChem's Power User Gateway

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

  691. James Gosling Unplugged

  692. Ten Things That Surprised Me About Blogging

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

  694. Name That Graph

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

  696. The Best 55 Online Periodic Tables

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

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

  699. Conversations with James

  700. Editable and Searchable 2D Molecular Images

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

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

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

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

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

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

  707. Waldorf Salad

  708. Yet Another Free Chemistry Database: Heterocycles Web Edition

  709. PubChem is a Platform

  710. Manage Your Bibliography with Firefox and Zotero

  711. Starting, Quitting, and Finishing

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

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

  714. Hacking CiteULike - Metascripting with Ruby and Session

  715. Open Notebook Science Using InChIMatic

  716. Everything is Miscellaneous

  717. We Don't Need No Stinkin' Copyright

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

  719. Buggotea: The Problem with Abundance

  720. Can Your Cheminformatics Tool Do This?

  721. Hacking PubChem - Learning to Speak PUG

  722. Hacking PubChem - Power User Gateway

  723. Open Access in Organic Chemistry

  724. RESTful Cheminformatics

  725. Just Say 'No' to Pentavalent Carbon

  726. Flex, Rich Internet Applications, and Cheminformatics

  727. Name That Graph

  728. Simple CAS Number Lookup with PubChem

  729. My InChI Runneth Over

  730. Interactive Ruby Open Babel

  731. Scientific Publication and the Seven Deadly Sins

  732. Hashing InChIs

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

  734. Update: InChI Canonicalization Algorithm

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

  736. Golden Rules for Open Source

  737. Strings and Things

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

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

  740. Self-Referential

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

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

  743. Roll Your Own Chemical Database With Free Components

  744. Structure Diagram Generation

  745. Painless Installation of Ruby Open Babel

  746. Can Your Cheminformatics Tool Do This?

  747. Creating Canonical SMILES with Ruby Open Babel

  748. The Aesthetics of Chemical Structure Diagrams

  749. Rethinking the Command Line for Chemistry

  750. Source Code, Science, and Advertising

  751. Why I Still Don't Use Connotea

  752. SciLink: Science Meets Facebook

  753. Customize InChI Output with Rino

  754. Software, Science, and Startups

  755. Do You Use the Command Line?

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

  757. From IUPAC Name to Molecular Formula with Ruby CDK

  758. Web 2.0 and Chemistry

  759. Yet Another Free Chemistry Database: FooDB

  760. Why the Web Isn't Ready for Chemistry

  761. Bountiful Quantities of Useless Features

  762. Bryan Vickery on What's Broken in Cheminformatics

  763. Googling for Molecules: New and Improved InChIMatic

  764. InChI Spam

  765. Making the Case - Flux-2

  766. The Power of Simple

  767. Octet Fundamentals - Immutable Molecules

  768. Google for Molecules with InChIMatic

  769. Twist and Shout

  770. Woz on Design and Constraints

  771. What's Broken in Cheminformatics?

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

  773. Octet Fundamentals: A Documented System of Atomic Masses

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

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

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

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

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

  779. Thirty-Two Free Chemistry Databases

  780. Making the Case: Topological Maximum Cross Correlation

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

  782. Making the Case: Personal Chemistry Client

  783. Collective Intelligence and the Dumbness of Crowds

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

  785. The Scientific Debate: Digg Meets Science?

  786. ChemRefer: Free Direct Access to the Primary Literature

  787. Decoding InChIs: An Introduction to Ninja

  788. FlexMol and Axial Chirality: N-Arylacrylanilides

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

  790. The Axial Chirality Problem

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

  792. Copyright 2.0 and Open Science

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

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

  795. Dispelling Open Source Confusion: An Introduction to Licenses

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

  797. The (Chemical Information) World is Flat

  798. Scaffolding

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

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

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

  802. Anatomy of a Cheminformatics Web Application: InChIMatic

  803. Making the Case: Similarity by Compression

  804. The Problem with Ferrocene

  805. Hacking Molbank: Creating a Graphical Table of Contents

  806. BioRails

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

  808. Anatomy of a Cheminformatics Web Application: Ajaxifying Depict

  809. Hacking Molbank: Downloading a Complete Chemistry Journal

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

  811. We Have Met the Enemy and He Is Us

  812. The Open Access Ecosystem

  813. Anatomy of a Cheminformatics Web Application: Beautifying Depict

  814. Scripting Molecular Fingerprints with Ruby CDK

  815. Build a Rails Cheminformatics Application in Thirty Minutes

  816. Unchaining Chemistry from the Desktop

  817. Visualizing Cheminformatics Algorithms

  818. Electric Cars and Open Access

  819. Diversity-Oriented Chemical Informatics

  820. Eleven Free Cheminformatics Scripting Environments

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

  822. Name That Graph

  823. Look Ma, No Applets!

  824. Debabelization

  825. Twelve Free Chemistry Databases

  826. Stone Soup

  827. From SMILES to InChI with OBRuby

  828. Stone Knives and Bear Skins

  829. OBRuby: A Ruby Interface to Open Babel

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

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

  832. Scripting Java with Ruby: Yet Another Java Bridge

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

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

  835. Molecular Style Sheets: Combining SVG and CSS

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

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

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

  839. Compiling C to Java Bytecode

  840. Decoding IUPAC Names With OPSIN

  841. Making the Case

  842. Running Ruby Java Bridge on Windows

  843. Software That Just Works

  844. Hacking PubChem: Direct Access with FTP

  845. Hacking PubChem: Free Speech or Free Beer?

  846. Looking at InChIs

  847. CDK, the Ruby Way: RCDK-0.2.0

  848. Hacking PubChem: Entrez Programming Utilities

  849. Mashups for Fun and Profit

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

  851. Hacking PubChem: Query by SMILES

  852. Point and Shoot Chemical Informatics Software

  853. Decoding InChIs with Rino

  854. Toward an Open, Worldwide Chemical Information Network

  855. Taking a SWIG of InChI

  856. CDK, the Ruby Way

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

  858. Visualizing IUPAC Names with ChemNomParse

  859. Chemical Nomenclature Translation

  860. Generating and Serving 2-D Molecular SVGs

  861. Chemical Reviews on Wikipedia

  862. Rendering Molecules with SVG on the Web

  863. The Automatic Encoding of Chemical Structures

  864. Hacking NMRShiftDB

  865. Peculiarities of Chemical Information

  866. Humanizing Line Notations

  867. Hacking PubChem with Ruby

  868. Drawing 2-D Structures with Structure-CDK

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

  870. Scripting Java Libraries with Ruby Java Bridge

  871. Computational Perception and Recognition of Digitized Molecular Structures

  872. Scripting CDK with JRuby

  873. Readily Available, Without Infringements or Restrictions

  874. Scripting Octet with JRuby

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

  876. Opportunities for Alternative Suppliers of Secondary Chemical Information

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

  878. History of Abstracting at Chemical Abstracts Service

  879. 107 Years of Line-Formula Notations (1861-1968)

  880. Ruby and InChI: The Rino Library

  881. Reading Behavior of Chemists

  882. ChemRuby First Look

  883. Changes

  884. InChI Canonicalization Algorithm