Real-World Applications and Experiences of AI/ML Deployment for Drug Discovery
J Med Chem
.
2025 Jan 23;68(2):851-859.
doi: 10.1021/acs.jmedchem.4c03044.
Epub 2025 Jan 8.
Authors
Will R Pitt
1
,
Jonathan Bentley
2
,
Christophe Boldron
3
,
Lionel Colliandre
4
,
Carmen Esposito
5
,
Elizabeth H Frush
6
,
Jola Kopec
7
,
Stéphanie Labouille
1
,
Jerome Meneyrol
3
,
David A Pardoe
1
,
Ferruccio Palazzesi
5
,
Alfonso Pozzan
8
,
Jacob M Remington
6
,
René Rex
9
,
Michelle Southey
1
,
Sachin Vishwakarma
4
,
Paul Walker
10
Affiliations
1
Molecular Architects, Evotec Ltd, Dorothy Crowfoot Hodgkin Campus, 114 Innovation Drive, Milton Park, Abingdon, Oxfordshire OX14 4RZ, U.K.
2
Discovery Chemistry, Evotec Ltd, Dorothy Crowfoot Hodgkin Campus, 114 Innovation Drive, Milton Park, Abingdon, Oxfordshire OX14 4RZ, U.K.
3
Molecular Architects, Evotec SAS, Campus Curie, 195, route d'Espagne, Toulouse 31095, France.
4
in silico R&D, Evotec SAS, Campus Curie, 195 route d'Espagne, 31100 Toulouse, France.
5
in silico R&D, Aptuit Srl, Via Alessandro Fleming, 4, 37135 Verona, Italy.
6
Molecular Architects, Evotec Inc., 303B College Road East, Princeton, New Jersey 08540, United States.
7
in silico R&D, Evotec Ltd, Dorothy Crowfoot Hodgkin Campus, 114 Innovation Drive, Milton Park, Abingdon, Oxfordshire OX14 4RZ, U.K.
8
Molecular Architects, Aptuit Srl, Via Alessandro Fleming, 4, 37135 Verona, Italy.
9
Evotec International GmbH, Marie-Curie-Str. 7, Göttingen D-37079, Germany.
10
Cyprotex Discovery Ltd, No. 24 Mereside, Alderley Park, Macclesfield, Cheshire SK10 4TG, U.K.
PMID:
39772505
DOI:
10.1021/acs.jmedchem.4c03044
No abstract available
Publication types
Editorial