TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data

by Dominique Sydow, Andrea Morger, Maximilian Driller, Andrea Volkamer
Published 2019-04-01

Assessing the calibration in toxicological in vitro models with conformal prediction

by Andrea Morger, Fredrik Svensson, Staffan Arvidsson McShane, Niharika Gauraha, Ulf Norinder, Ola Spjuth, Andrea Volkamer
Published 2021-04-01

KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development

by Andrea Morger, Miriam Mathea, Janosch H. Achenbach, Antje Wolf, Roland Buesen, Klaus-Juergen Schleifer, Robert Landsiedel, Andrea Volkamer
Published 2020-04-01