Pharmacophore model generation and use
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United States of America Patent
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Issued Date -
Mar 10, 2005
app pub date -
Jun 10, 2004
filing date -
Jun 26, 2003
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Abandoned
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Abstract
Methods and systems for generating pharmacophore models are characterized both by molecular features that are present in the model and features that are defined as absent. Thus, models can be developed that take into account features such as steric bulk that inhibit activity for a specified target as well as features such as functional groups that promote activity. Features that inhibit activity can be identified by comparing known active molecules with known inactive molecules. Features that are present in the inactive molecules but absent in the active molecules can be defined in a pharmacophore model.
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