Rigorous nested cross-validation and external generalization-gap analysis of a machine-learning classifier for U-251 glioblastoma cytotoxicity.

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Title: Rigorous nested cross-validation and external generalization-gap analysis of a machine-learning classifier for U-251 glioblastoma cytotoxicity.
Authors: Uemichi Y; School of Pharmacy, Hyogo Medical University, Kobe, Hyogo, Japan., Nakao S; School of Pharmacy, Hyogo Medical University, Kobe, Hyogo, Japan., Nagano S; School of Pharmacy, Hyogo Medical University, Kobe, Hyogo, Japan., Mabuchi M; School of Pharmacy, Hyogo Medical University, Kobe, Hyogo, Japan., Kawabata Y; School of Pharmacy, Hyogo Medical University, Kobe, Hyogo, Japan., Uesawa Y; Department of Medical Molecular Informatics, Meiji Pharmaceutical University, Kiyose, Tokyo, Japan., Shimizu T; School of Pharmacy, Hyogo Medical University, Kobe, Hyogo, Japan.
Source: PloS one [PLoS One] 2026 Nov 03; Vol. 21 (11), pp. e0361912. Date of Electronic Publication: 2026 Nov 03 (Print Publication: 2026).
Publication Type: Journal Article
Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE
Database: MEDLINE Ultimate
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ISSN:1932-6203
DOI:10.1371/journal.pone.0361912