/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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