Articles Tagged "fingerprint"


MX Snippets Part 1: Generate Molecular Fingerprints From the Command Line
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Monday January 11, 2010

MX-1.0 Beta 2
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Thursday July 02, 2009

Quick MX Update: Extensible Fingerprints and Hydrogen-Blocked Substructure Queries
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Thursday June 18, 2009

Fast Substructure Search Using Open Source Tools Part 6: Modelling a One-To-Many Relationship Between Fingerprints and Compounds in Ruby
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Wednesday October 29, 2008

Fast Substructure Search Using Open Source Tools Part 5: Relating Molecules to Fingerprints with SQL
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Tuesday October 21, 2008

Fast Substructure Search Using Open Source Tools Part 4: Creating Fingerprints from Chemical Structures
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Wednesday October 15, 2008

Fast Substructure Search Using Open Source Tools Part 3: A CRUD API for Fingerprints in Ruby
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Monday October 06, 2008

Fast Substructure Search Using Open Source Tools Part 2: Fingerprint Screen With SQL
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Friday October 03, 2008

Fast Substructure Search Using Open Source Tools Part 1: Fingerprints and Databases
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Thursday October 02, 2008

Scripting Molecular Fingerprints with Ruby CDK
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Wednesday November 22, 2006