Integrating Machine Learning and SHAP Analysis to Advance the Rational Design of Benzothiadiazole Derivatives with Tailored Photophysical Properties

Rafael F. Veríssimo; Pedro Henrique Ferreira Matias; Mateus Rodrigues Barbosa; Flávio O. Sanches-Neto; Brenno A. D. Neto; Heibbe C. B. de Oliveira

Journal of Chemical Information and Modeling, v. 65, p. 7874-7886 (2025)

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