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For now, please read the paper
Stein RM, Yang Y, Balius TE, O'Meara MJ, Lyu JK, Young J, Tang K, Shoichet BK and Irwin JJ, J Chem Inf Model, 2021, 61,, 2, 699-714. pubs.acs.org/doi/10.1021/acs.jcim.0c00598