GAFF/IPolQ-Mod+LJ-Fit: Optimized force field parameters for solvation free energy predictions. ADMET and DMPK, [S. l.], v. 8, n. 3, p. 274–296, 2020. DOI: 10.5599/admet.837. Disponível em: https://pub.iapchem.org/ojs/index.php/admet/article/view/837. Acesso em: 9 jun. 2026.