Articles Tagged "smiles"


The SMILES Antipattern
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Wednesday October 14, 2009

Chemical Substructure Search in SQL
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Thursday February 12, 2009

Reading SMILES with MX
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Wednesday December 03, 2008

Extending InChI Stereochemistry
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Wednesday July 09, 2008

Science Blogging Anthology Now in Print
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Tuesday January 15, 2008

Depth-First Article to Appear in Science Blogging Anthology
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Monday January 07, 2008

Run Babel Anywhere Java Runs with JBabel
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Monday December 10, 2007

SMILES and Aromaticity: Broken?
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Wednesday November 28, 2007

Making the Case: OpenSMILES
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Wednesday November 14, 2007

Easily Convert IUPAC Nomenclature to SMILES, InChI, or Molfile with Rubidium
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Friday October 19, 2007

JRuby for Cheminformatics: Parsing SMILES Simply
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Tuesday October 09, 2007

Ruby CDK One-Liners: Create a Molfile With 2D Atom Coordinates From Arbitrary SMILES Strings
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Thursday September 20, 2007

Everything Old is New Again: Wiswesser Line Notation (WLN)
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Friday July 20, 2007

Interconvert (Almost) Any SMILES and InChI with Ruby Open Babel
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Monday June 25, 2007

My InChI Runneth Over
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Thursday May 17, 2007

Strings and Things
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Wednesday April 25, 2007

Structure Diagram Generation
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Wednesday April 11, 2007

Creating Canonical SMILES with Ruby Open Babel
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Tuesday April 03, 2007

Eleven Qualities of The Perfect Line Notation for the Web
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Wednesday March 14, 2007

An Object-Oriented Framework for Molecular Representation: Getting Started with Octet
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Tuesday January 30, 2007

Making the Case: Similarity by Compression
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Wednesday December 13, 2006

The Problem with Ferrocene
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Tuesday December 12, 2006

Anatomy of a Cheminformatics Web Application: Beautifying Depict
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Monday November 27, 2006

From SMILES to InChI with OBRuby
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Friday November 03, 2006

OBRuby: A Ruby Interface to Open Babel
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Tuesday October 31, 2006

CDK, the Ruby Way: RCDK-0.2.0
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Monday September 25, 2006

Hacking PubChem: Query by SMILES
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Thursday September 21, 2006

Hacking NMRShiftDB
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Monday September 04, 2006

Humanizing Line Notations
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Saturday September 02, 2006

From SMILES to InChI: Rino, CDK, and Ruby Java Bridge
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Saturday August 26, 2006

107 Years of Line-Formula Notations (1861-1968)
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Friday August 18, 2006

ChemRuby First Look
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Sunday August 13, 2006