Lessons learnt from machine learning in early stages of drug discovery-Reference-Cited by-同舟云学术

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Lessons learnt from machine learning in early stages of drug discovery

Published:2024-05-10 Issue:6 Volume:19 Page:631-633
ISSN:1746-0441
Container-title:Expert Opinion on Drug Discovery
language:en
Short-container-title:Expert Opinion on Drug Discovery

Author:

Cavasotto Claudio N.¹²³,Di Filippo Juan I.²³⁴,Scardino Valeria³⁴

Affiliation:

1. Computational Drug Design and Biomedical Informatics Laboratory, Instituto de Investigaciones en Medicina Traslacional (IIMT), CONICET-Universidad Austral, Pilar, Buenos Aires, Argentina

2. Facultad de Ciencias Biomédicas, Universidad Austral, Pilar, Buenos Aires, Argentina

3. Austral Institute for Applied Artificial Intelligence, Universidad Austral, Pilar, Argentina

4. Meton AI, Inc, Wilmington, DE, USA

Funder

National Agency for the Promotion of Science and Technology

Publisher

Informa UK Limited

Link

https://www.tandfonline.com/doi/pdf/10.1080/17460441.2024.2354279

Reference26 articles.

1. Artificial intelligence in drug discovery: recent advances and future perspectives

2. Applications of machine learning in drug discovery and development

3. Guided structure-based ligand identification and design via artificial intelligence modeling

4. Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening

5. In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening

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