Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery-Reference-Cited by-同舟云学术

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Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Published:2019-01-10 Issue:1 Volume:11 Page:
ISSN:1758-2946
Container-title:Journal of Cheminformatics
language:en
Short-container-title:J Cheminform

Author:

Bosc Nicolas^ORCID,Atkinson Francis,Felix Eloy,Gaulton Anna,Hersey Anne,Leach Andrew R.

Funder

FP7 Health

H2020 Research and Innovation

Wellcome Trust

European Molecular Biology Laboratory

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Computer Science Applications

Link

http://link.springer.com/content/pdf/10.1186/s13321-018-0325-4.pdf

Reference50 articles.

1. Cherkasov A, Muratov EN, Fourches D et al (2014) QSAR modeling: Where have you been? Where are you going to? J Med Chem 57:4977–5010. https://doi.org/10.1021/jm4004285

2. Nicola G, Liu T, Gilson MK (2012) Public domain databases for medicinal chemistry. J Med Chem 55:6987–7002. https://doi.org/10.1021/jm300501t

3. Mendez D, Gaulton A, Bento AP et al (2018) ChEMBL: towards direct deposition of bioassay data. Nucleic Acids Res. https://doi.org/10.1093/nar/gky1075

4. Verma J, Khedkar V, Coutinho E (2010) 3D-QSAR in drug design: a review. Curr Top Med Chem 10:95–115. https://doi.org/10.2174/156802610790232260

5. Quintero FA, Patel SJ, Muñoz F, Sam Mannan M (2012) Review of existing QSAR/QSPR models developed for properties used in hazardous chemicals classification system. Ind Eng Chem Res 51:16101–16115. https://doi.org/10.1021/ie301079r

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