Rezultaty - Alexandre Varnek

Higher education in chemoinformatics: achievements and challenges od Alexandre Varnek, Gilles Marcou, Dragos Horvath

Dokumenty pełnotekstowe

Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson’s Catalyst Case od Ruben Staub, Philippe Gantzer, Yu Harabuchi, Satoshi Maeda, Alexandre Varnek

Dokumenty pełnotekstowe

An update of skin permeability data based on a systematic review of recent research od Lisa Chedik, Shamkhal Baybekov, Frédéric Cosnier, Gilles Marcou, Alexandre Varnek, Catherine Champmartin

Dokumenty pełnotekstowe

DMSO Solubility Assessment for Fragment-Based Screening od Shamkhal Baybekov, Gilles Marcou, Pascal Ramos, Olivier Saurel, Jean-Luc Galzi, Alexandre Varnek

Dokumenty pełnotekstowe

Predicting Enantioselectivity via Kinetic Simulations on Gigantic Reaction Path Networks od Yu Harabuchi, Ruben Staub, Min Gao, Nobuya Tsuji, Benjamin List, Alexandre Varnek, Satoshi Maeda

Dokumenty pełnotekstowe

Computational screening methodology identifies effective solvents for CO2 capture od Alexey A. Orlov, Alain Valtz, Christophe Coquelet, Xavier Rozanska, Erich Wimmer, Gilles Marcou, Dragos Horvath, Bénédicte Poulain, Alexandre Varnek, Frédérick de Meyer

Dokumenty pełnotekstowe

School of cheminformatics in Latin America od Karla Gonzalez-Ponce, Carolina Horta Andrade, Fiona Hunter, Johannes Kirchmair, Karina Martinez-Mayorga, José L. Medina-Franco, Matthias Rarey, Alexander Tropsha, Alexandre Varnek, Barbara Zdrazil

Dokumenty pełnotekstowe

In Vitro Evaluation of In Silico Screening Approaches in Search for Selective ACE2 Binding Chemical Probes od Alexey V. Rayevsky, Andrii S. Poturai, Iryna O. Kravets, Alexander E. Pashenko, Tatiana A. Borisova, Ganna M. Tolstanova, Dmitriy M. Volochnyuk, Petro O. Borysko, Olga B. Vadzyuk, Diana O. Alieksieieva, Yuliana Zabolotna, Olga Klimchuk, Dragos Horvath, Gilles Marcou, Sergey V. Ryabukhin, Alexandre Varnek

Dokumenty pełnotekstowe