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Atom Pair 2D-Fingerprints Perceive 3D-Molecular Shape and Pharmacophores for Very Fast Virtual Screening of ZINC and GDB-17

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Awale Mahendra, Reymond Jean-Louis,
Project Chemical Space as a Source for New Drugs
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Original article (peer-reviewed)

Journal Journal of Chemical Information and Modeling
Volume (Issue) 54(7)
Page(s) 1892 - 1907
Title of proceedings Journal of Chemical Information and Modeling
DOI 10.1021/ci500232g

Open Access

URL http://pubs.acs.org/doi/abs/10.1021/ci500232g
Type of Open Access Website

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