Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation-Reference-Cited by-同舟云学术

Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation

Published:2024-01-03 Issue:2 Volume:64 Page:348-358
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Chen Ya¹^ORCID,Seidel Thomas¹²^ORCID,Jacob Roxane Axel¹²³,Hirte Steffen¹³,Mazzolari Angelica⁴^ORCID,Pedretti Alessandro⁴^ORCID,Vistoli Giulio⁴^ORCID,Langer Thierry¹²^ORCID,Miljković Filip⁵^ORCID,Kirchmair Johannes¹²^ORCID

Affiliation:

1. Department of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria

2. Christian Doppler Laboratory for Molecular Informatics in the Biosciences, Department for Pharmaceutical Sciences, University of Vienna, 1090 Vienna, Austria

3. Vienna Doctoral School of Pharmaceutical, Nutritional and Sport Sciences (PhaNuSpo), University of Vienna, 1090 Vienna, Austria

4. Dipartimento di Scienze Farmaceutiche, Università degli Studi di Milano, I-20133 Milano, Italy

5. Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, SE-43183 Gothenburg, Sweden

Funder

?sterreichische Nationalstiftung f?r Forschung, Technologie und Entwicklung

Austrian Federal Ministry of Labour and Economy for Digital and Economic Affairs

Christian Doppler Research Association

BASF SE

Boehringer-Ingelheim RCV GmbH & Co KG

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01588

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