Real-World Molecular Out-Of-Distribution: Specification and Investigation.

Journal

Journal of chemical information and modeling

ISSN: 1549-960X

Titre abrégé: J Chem Inf Model

Pays: United States

ID NLM: 101230060

Informations de publication

Date de publication:
01 Feb 2024

Historique:

medline: 1 2 2024

pubmed: 1 2 2024

entrez: 1 2 2024

Statut: aheadofprint

Résumé

This study presents a rigorous framework for investigating molecular out-of-distribution (MOOD) generalization in drug discovery. The concept of MOOD is first clarified through a

Identifiants

DOI: 10.1021/acs.jcim.3c01774 PMID: 38300258

pubmed: 38300258

doi: 10.1021/acs.jcim.3c01774

doi:

Types de publication

Journal Article

Langues

eng