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

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

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.