InChI: open-source chemical structure representation algorithm

Capturing mixture composition: an open machine-readable format for representing mixed substances.

Capturing mixture composition: an open machine-readable format for representing mixed substances.
Clark, Alex M.; McEwen, Leah R.; Gedeck, Peter; Bunin, Barry A.
J Cheminform 11 33 (2019).
InChI Extension Published: (Sep/2019)
DOI: https://www.doi.org/10.1186/s13321-019-0357-4
exerpt:
A computer-aided drug design approach to discover tumour suppressor p53 protein activators for colorectal cancer therapy
Rui P.S. PatrĂ­cio, Paula A. Videirab, Florbela Pereira, Bioorganic & Medicinal Chemistry 53, 116530 (2022).
DOI: https://doi.org/10.1016/j.bmc.2021.116530
Full Citation ; more papers on: Drug Design

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