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

Author(s):
Škuta, C.; Cortés-Ciriano, I.; Dehaen, W.; Kříž, P.; Westen, P.J.G. van; Tetko, V.I.; Bender, A.; Svozil, D.
Published
2020
Publication type
Article / Letter to editor
Date issued
2020
Language
English
Is part of
Journal of Cheminformatics (2020), Vol. 12, p. 39
hdl
1887/106085
doi
10.1186/s13321-020-00443-6