Abstract
Self-organizing maps were trained to separate high- and low-active propafenone-type inhibitors of P-glycoprotein. The trained maps were subsequently used to identify highly active compounds in a virtual screen of the SPECS compound library.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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ATP Binding Cassette Transporter, Subfamily B, Member 1 / antagonists & inhibitors*
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ATP Binding Cassette Transporter, Subfamily B, Member 1 / chemistry*
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Databases, Factual
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Drug Resistance
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Propafenone / analogs & derivatives
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Propafenone / chemistry
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Quantitative Structure-Activity Relationship*
Substances
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ATP Binding Cassette Transporter, Subfamily B, Member 1
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Propafenone