ThermoPred: AI-Enhanced Quantum Chemistry Data Set and ML Toolkit for Thermochemical Properties of API-Like Compounds and Their Degradants

Daniella Pereira dos Santos; Jefferson R. Dias-Silva; Luiz Henrique Keng Queiroz Júnior; Heibbe C. B. de Oliveira

Journal of Chemical Information and Modeling, v. 65, p. 13004-13011 (2025)