GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics

by M. Sicho, X. Liu, D. Svozil, G. J. P. van Westen
Published 2021-09-01

QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping

by C. Škuta, I. Cortés-Ciriano, W. Dehaen, P. Kříž, G. J. P. van Westen, I. V. Tetko, A. Bender, D. Svozil
Published 2020-05-01

Random Forest ensembles for detection and prediction of Alzheimer's disease with a good between-cohort robustness

by A.V. Lebedev, E. Westman, G.J.P. Van Westen, M.G. Kramberger, A. Lundervold, D. Aarsland, H. Soininen, I. Kłoszewska, P. Mecocci, M. Tsolaki, B. Vellas, S. Lovestone, A. Simmons
Published 2014-01-01