The Use of Random Forest to Improve Molecular Docking Tools for Drug Design - Dr. Pedro J. Ballester
Yandex School of Data Analysis Conference
Machine Learning: Prospects and Applications
Docking is a structure-based computational tool that can be used to
predict the strength with which a small ligand molecule binds to a macromolecular
target. Such binding affinity prediction is crucial to design
molecules that bind more tightly to a target and thus are more likely to
provide the most efficacious modulation of its biochemical function.
Despite intense research over
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