"Synergizing Machine Learning, Conceptual Density Functional Theory, and ..."

Andrés Halabi Diaz et al. (2024)

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DOI: 10.1021/ACS.JCIM.4C01246

access: closed

type: Journal Article

metadata version: 2025-01-25

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Andrés Halabi Diaz, Mario Duque-Noreña, Elizabeth Rincón, Eduardo Chamorro:
Synergizing Machine Learning, Conceptual Density Functional Theory, and Biochemistry: No-Code Explainable Predictive Models for Mutagenicity in Aromatic Amines. J. Chem. Inf. Model. 64(22): 8510-8520 (2024)

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