InChI: open-source chemical structure representation algorithm

HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder

HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder
Tagir Akhmetshin; Arkadii Lin; Daniyar Mazitov; Evgenii Ziaikin; Timur Madzhidov; Alexandre Varnek

AI/ML Published: (Dec/2021)
DOI:
exerpt:
A computer-aided drug design approach to discover tumour suppressor p53 protein activators for colorectal cancer therapy
Rui P.S. Patrício, Paula A. Videirab, Florbela Pereira, Bioorganic & Medicinal Chemistry 53, 116530 (2022).
DOI: https://doi.org/10.1016/j.bmc.2021.116530
Full Citation ; more papers on: Drug Design