Alexandre Varnek

Assessment of tautomer distribution using the condensed reaction graph approach

Igor I. Baskin, Alexandre Varnek, Timur I. Madzhidov, 2018, Journal of Computer-Aided Molecular Design.

Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR.

O. Isayev, Gisbert Schneider, Alexandre Varnek, 2023, Nature reviews. Drug discovery.

Chemical complexity challenge: Is multi‐instance machine learning a solution?

T. Madzhidov, D. Zankov, Alexandre Varnek, 2023, WIREs Computational Molecular Science.