/tools/Computational-ADME

Computational-ADME

molecularinformatics/Computational-ADME

100 stars20 forksPythonAdded February 5, 2026
summary

Computational-ADME is a repository that provides code and data for building and validating machine learning models for predicting ADME (Absorption, Distribution, Metabolism, and Excretion) properties of drug candidates. It includes datasets of diverse compounds and various machine learning algorithms to enhance the accuracy of predictions in drug discovery.

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