Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures

by Alina Kutlushina, Aigul Khakimova, Timur Madzhidov, Pavel Polishchuk
Published 2018-11-01

Addendum: Kutlushina, A., et al. Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures. Molecules, 2018, 23, 3094

by Alina Kutlushina, Aigul Khakimova, Timur Madzhidov, Pavel Polishchuk
Published 2019-03-01

Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations

by Pavel Polishchuk, Alina Kutlushina, Dayana Bashirova, Olena Mokshyna, Timur Madzhidov
Published 2019-11-01

Discovery of novel chemical reactions by deep generative recurrent neural network

by William Bort, Igor I. Baskin, Timur Gimadiev, Artem Mukanov, Ramil Nugmanov, Pavel Sidorov, Gilles Marcou, Dragos Horvath, Olga Klimchuk, Timur Madzhidov, Alexandre Varnek
Published 2021-02-01