Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries

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Machine Learning-Boosted Docking Enables the Efficient Structure-Based Virtual Screening of Giga-Scale Enumerated Chemical Libraries

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