QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach

ZANKOV, D., M. MATVEIEVA, A. IVANOVA (NIKONENKO), R. NUGMANOV, I. BASKIN, A. VARNEK, P. POLISHCHUK, T. MADZHIDOV
QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach. Journal of Chemical Information and Modeling. 2021, 61(10), 4913-4923, ISSN: 1549-9596, PMID: 34554736,