ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images

Xiaochen Zhang, Jiacai Yi, Guoping Yang, Chengkun Wu, Tingjun Hou, Dongsheng Cao · Briefings in Bioinformatics · March 2022

Optical Chemical Structure Recognition SMILES Recognition Deep Learning

ABC-Net proposes a divide-and-conquer architecture for translating molecular images into SMILES strings. By decomposing the recognition problem into coordinated sub-tasks, the model improves robustness across diverse molecular depictions and advances deep learning-based optical chemical structure recognition.