C-MAGE enables large-scale information extraction of chemical structures in a consistent and reproducible pipeline, complementing the more common text extractions, and led to a 7.1% increase in accurate molecular representations generated.
Alexander K. Taylor, Jeehyun Hwang, Mihir Surve et al.· Journal of Chemical Informat...· 0 citations
This tutorial provides a unified introduction to modern generative modeling approaches for molecular generation, covering their theoretical foundations, algorithmic design, and practical considerations for molecular representations such as 1D SMILES strings, 2D molecular graphs, and 3D structures.
Ke-Han Guo, Yili Shen, Jeehyun Hwang et al.· Proceedings of the 32nd ACM...· 0 citations
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