InChI: open-source chemical structure representation algorithm

Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification.

Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification.
Allen, Felicity; Pon, Allison; Greiner, Russ; Wishart, David
Anal Chem 88 7689-7697 (2016).
Science Published: (May/2016)
DOI: 10.1021/acs.analchem.6b01622
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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