InChI: open-source chemical structure representation algorithm

Towards a Universal SMILES representation – A standard method to generate canonical SMILES based on the InChI.

Towards a Universal SMILES representation – A standard method to generate canonical SMILES based on the InChI.
O'Boyle, Noel M.
J Cheminform 4 22 (2012).
Science Published: (Jan/2012)
DOI: https://www.inchi-trust.org
exerpt:
A computer-aided drug design approach to discover tumour suppressor p53 protein activators for colorectal cancer therapy
Rui P.S. Patrício, 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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