/tools/ML-ensemble-docking
ML-ensemble-docking
jRicciL/ML-ensemble-docking
summary
ML-ensemble-docking is a tool designed to enhance structure-based virtual screening by utilizing ensemble docking methods combined with machine learning techniques. It evaluates the performance of various protein targets and improves ligand ranking through advanced predictive models.
description
Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
topics
machine-learningprotein-structuredrug-discoveryvirtual-screeningdocking
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