Articles Tagged "molfile"


Latest CTFile Formats Specification Available Now from Symyx
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Monday June 28, 2010

Hashing and the Universal Molecular Identifier
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Tuesday June 30, 2009

Dark Corners of the Molfile Specification: Sgroups and Substructure Abbreviations
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Wednesday June 10, 2009

Reading and Writing SD Files With MX
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Monday December 15, 2008

Extending InChI Stereochemistry
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Wednesday July 09, 2008

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

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

Never Draw the Same Molecule Twice: Viewing Image Metadata
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Wednesday August 08, 2007

Never Draw the Same Molecule Twice: Image Metadata for Cheminformatics
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Wednesday August 01, 2007

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

Hacking Molbank: Downloading a Complete Chemistry Journal
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Friday December 01, 2006

Molbank and the Convergence of Open Access, Open Data, and Open Source in Chemistry
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Thursday November 30, 2006

Drawing 2-D Structures with Structure-CDK
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Monday August 28, 2006