The prediction of SARS-CoV-2 main protease inhibition with filtering by position of ligand

Ivanova Ya.O., Voronina A.I., Skvortsov V.S.

Year: 2022 Vol: 68 Issue: 6 Pages: 444-458


Supplementary materials:   RUEN
Structures of the compounds used in the work. Activity data and partitioning on the learning, testing and unused sets.PBMC-2022-68-6-444_S.zip  PBMC-2022-68-6-444_S.zip