SMiPoly
Rule-based synthesizable polymer virtual library generator. Classifies small-molecule SMILES into monomer classes and generates polymer repeat-unit SMILES via rule-based polymerization reactions.
Citation
Ohno, M.; Hayashi, Y.; Zhang, Q.; Kaneko, Y.; Yoshida, R. SMiPoly: Generation of a Synthesizable Polymer Virtual Library Using Rule-Based Polymerization Reactions. J. Chem. Inf. Model. 63(17), 5539-5548 (2023). DOI:10.1021/acs.jcim.3c00329