Connectivity stepwise derivation (CSD) method: a generic chemical structure information extraction method for the full step matrix
Jialiang Xiong, Xiaojie Feng, Jingxuan Xue, Yueji Wang, Haoren Niu, Yu Gu, Qingzhu Jia, Qiang Wang, Fangyou Yan · Digital Discovery · 2024
The connectivity step derivation (CSD) method for extracting the full step matrix to describe the molecular structure to computers is elaborated, and its computational speed advantage increases with the number of atoms in the molecule.