SILCS-BML

Users may improve the predictability of LGFE scores derived from SILCS-MC docking or pose refinement through SILCS-BML. With SILCS-BML, Bayesian Machine Learning (BML) Markov Chain Monte Carlo is used to reweight FragMaps based on a training set of experimental data for compounds and their binding partner. For more information on SILCS-BML and its usage, please refer to SILCS-BML in the Small Molecule Suite.