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

Crossref DOI link: https://doi.org/10.1186/s13321-020-00443-6

Published Online: 2020-05-29

Published Print: 2020-12

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Škuta, C. http://orcid.org/0000-0001-5325-4934
Cortés-Ciriano, I. http://orcid.org/0000-0002-2036-494X
Dehaen, W. http://orcid.org/0000-0002-9597-0629
Kříž, P. http://orcid.org/0000-0003-2473-1919
van Westen, G. J. P. http://orcid.org/0000-0003-0717-1817
Tetko, I. V. http://orcid.org/0000-0002-6855-0012
Bender, A. http://orcid.org/0000-0002-6683-7546
Svozil, D. http://orcid.org/0000-0003-2577-5163
Funding

Funding for this research was provided by:

Ministry of Education, Youth and Sports of the Czech Republic (LM2018130, RVO 68378050-KAV-NPUI, LM2018130, RVO 68378050-KAV-NPUI)

H2020 Marie Skłodowska-Curie Actions (703543)

FP7 People: Marie-Curie Actions (238701, 238701)
License Information

Text and Data Mining valid from 2020-05-29

Version of Record valid from 2020-05-29
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Article History

Received: 7 August 2019

Accepted: 16 May 2020

First Online: 29 May 2020

Competing interests

: The authors declare that they have no competing interests.

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