InChI: open-source chemical structure representation algorithm

Unique Identifiers for Small Molecules Enable Rigorous Labeling of Their Atoms

Unique Identifiers for Small Molecules Enable Rigorous Labeling of Their Atoms
Dashti, Hesam; Westler, William M.; Markley, John L.; Eghbalnia, Hamid R.
Sci Data 4 (1) 170073 (2017).
Science Published: (Dec/2017)
DOI: https://doi.org/10.1038/sdata.2017.73
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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