InChI: open-source chemical structure representation algorithm

Applications of the InChI in cheminformatics with the CDK and Bioclipse.

Applications of the InChI in cheminformatics with the CDK and Bioclipse.
Spjuth, Ola; Berg, Arvid; Adams, Samuel; Willighagen, Egon L.
J Cheminform 5 14 (2013).
Science Published: (Oct/2013)
DOI:
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