/tools/NonadditivityAnalysis
NonadditivityAnalysis
KramerChristian/NonadditivityAnalysis
19 stars5 forksPythonAdded February 5, 2026
summary
NonadditivityAnalysis is a tool designed to analyze SAR datasets by identifying complex patterns and computing matched pairs from molecular structures. It processes input data to derive insights about nonadditivity in molecular interactions, making it useful for researchers in computational chemistry and drug discovery.
description
Code to analyze SAR datasets for Nonadditivity
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