Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

por Ertl, Peter, Schuffenhauer, Ansgar
Publicado 2009

Splitting chemical structure data sets for federated privacy-preserving machine learning

por Simm, Jaak, Humbeck, Lina, Zalewski, Adam, Sturm, Noe, Heyndrickx, Wouter, Moreau, Yves, Beck, Bernd, Schuffenhauer, Ansgar
Publicado 2021

Gene-signature-derived IC(50)s/EC(50)s reflect the potency of causative upstream targets and downstream phenotypes

por Renner, Steffen, Bergsdorf, Christian, Bouhelal, Rochdi, Koziczak-Holbro, Magdalena, Amati, Andrea Marco, Techer-Etienne, Valerie, Flotte, Ludivine, Reymann, Nicole, Kapur, Karen, Hoersch, Sebastian, Oakeley, Edward James, Schuffenhauer, Ansgar, Gubler, Hanspeter, Lounkine, Eugen, Farmer, Pierre
Publicado 2020