Molecular representations in AI-driven drug discovery: a review and practical guide

por David, Laurianne, Thakkar, Amol, Mercado, Rocío, Engkvist, Ola
Publicado 2020

A toolkit for covalent docking with GOLD: from automated ligand preparation with KNIME to bound protein–ligand complexes

por David, Laurianne, Mdahoma, Anissa, Singh, Natesh, Buchoux, Sébastien, Pihan, Emilie, Diaz, Constantino, Rabal, Obdulia
Publicado 2022

Identification of Compounds That Interfere with High‐Throughput Screening Assay Technologies

por David, Laurianne, Walsh, Jarrod, Sturm, Noé, Feierberg, Isabella, Nissink, J. Willem M., Chen, Hongming, Bajorath, Jürgen, Engkvist, Ola
Publicado 2019

Applications of Deep-Learning in Exploiting Large-Scale and Heterogeneous Compound Data in Industrial Pharmaceutical Research

por David, Laurianne, Arús-Pous, Josep, Karlsson, Johan, Engkvist, Ola, Bjerrum, Esben Jannik, Kogej, Thierry, Kriegl, Jan M., Beck, Bernd, Chen, Hongming
Publicado 2019