Abstract
A quantitative-structure activity relationship was obtained by applying Multiple Linear Regression Analysis to a series of 80 1-[2-hydroxyethoxy-methyl]-6-(phenylthio) thymine (HEPT) derivatives with significant anti-HIV activity. For the selection of the best among 37 different descriptors, the Elimination Selection Stepwise Regression Method (ES-SWR) was utilized. The resulting QSAR model (R (2) (CV) = 0.8160; S (PRESS) = 0.5680) proved to be very accurate both in training and predictive stages.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Anti-HIV Agents / chemistry*
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Anti-HIV Agents / pharmacology*
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HIV Reverse Transcriptase / antagonists & inhibitors
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HIV-1 / drug effects*
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Humans
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Linear Models
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Neural Networks, Computer
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Quantitative Structure-Activity Relationship*
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Reverse Transcriptase Inhibitors / chemistry
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Reverse Transcriptase Inhibitors / pharmacology
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Thymine / analogs & derivatives
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Thymine / chemistry
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Thymine / pharmacology
Substances
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Anti-HIV Agents
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Reverse Transcriptase Inhibitors
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1-((2-hydroxyethoxy)methyl)-6-(phenylthio)thymine
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HIV Reverse Transcriptase
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Thymine