/tools/ADMET_XGBoost
ADMET_XGBoost
smu-tao-group/ADMET_XGBoost
40 stars9 forksPythonAdded February 4, 2026
summary
ADMET_XGBoost is a tool designed for accurate prediction of ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties of small molecules using the XGBoost machine learning algorithm. It provides functionalities for feature extraction from SMILES representations and model training for various ADMET tasks.
description
Accurate ADMET Prediction with XGBoost
topics
admetpython3
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