Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries
Author:
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Sivula, Toni; Yetukuri, Laxman; Kalliokoski, Tuomo; Kasnanen, Heikki; Poso, Antti; Pohner, Ina
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Tübinger Autor(en):
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Published in:
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Journal of Chemical Information and Modeling
(2023), Bd.
63,
H.
18,
S.
5773-5783
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Verlagsangabe:
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Washington : Amer Chemical Soc
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Language:
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English
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Full text:
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http://dx.doi.org/10.1021/acs.jcim.3c01239
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ISSN:
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1549-9596
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DDC Classifikation:
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540 - Chemistry and allied sciences 004 - Data processing and computer science
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Dokumentart:
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Article
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