Development and Validation of Atomic Group Descriptors for Substituent Effects

von Lefrancois-Gagnon, Kevin
Veröffentlicht in: Journal of computational chemistry (2025)

Toward universal substituent constants Transferability of group descriptors from the quantum theory of atoms in molecules

von Lefrancois-Gagnon, Kevin M
Veröffentlicht in: Journal of computational chemistry (2022)

Toward universal substituent constants Model chemistry sensitivity of descriptors from the quantum theory of atoms in molecules

von Lefrancois-Gagnon, Kevin M
Veröffentlicht in: Journal of computational chemistry (2020)