共 50 条
- [1] Prediction of solvation free energies of small organic molecules: Additive-constitutive models based on molecular fingerprints and atomic constants JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1999, 39 (02): : 405 - 412
- [6] “Bimolecular” QSPR: Estimation of the solvation free energy of organic molecules in different solvents Doklady Chemistry, 2007, 414 : 128 - 131
- [10] Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method JOURNAL OF COMPUTATIONAL CHEMISTRY, 2023, 44 (14) : 1334 - 1346