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

por Škuta, C., Cortés-Ciriano, I., Dehaen, W., Kříž, P., van Westen, G. J. P., Tetko, I. V., Bender, A., Svozil, D.
Publicado 2020