3DSGIMD: An accurate and interpretable molecular property prediction method using 3D spatial graph focusing network and structure-based feature fusion

Autor: Tian, Yanan, Wang, Chenbin, Lu, Ruiqiang, Tong, Henry H.Y., Gong, Xiaoqing, Qiu, Jiayue, Peng, Shaoliang, Yao, Xiaojun, Liu, Huanxiang
Zdroj: In Future Generation Computer Systems December 2024 161:189-200
Databáze: ScienceDirect