Structure-reactivity modeling using mixture-based representation of chemical reactions

POLISHCHUK, P., T. MADZHIDOV, T. GIMADIEV, A. BODROV, R. NUGMANOV, A. VARNEK
Structure-reactivity modeling using mixture-based representation of chemical reactions. Journal of Computer-aided Molecular Design. 2017, 31(9), 829-839, ISSN: 0920-654X, PMID: 28752345,