Machine Learning Model for Predicting Molecular Surface Area and Volume Defined by the Kohn-Sham One-electron Potential

MENG Peiran, FENG Jiayi, SONG Jiaqing, KONG Xianghe, ZHAO Jian, YU Chunyang, GONG Lidong

Chemical Research in Chinese Universities . 2026, (3): 992 -997 . DOI: 10.1007/s40242-026-6049-5