InChI: open-source chemical structure representation algorithm

UniChem: Extension of InChI-Based Compound Mapping to Salt, Connectivity and Stereochemistry Layers

UniChem: Extension of InChI-Based Compound Mapping to Salt, Connectivity and Stereochemistry Layers
Chambers, Jon; Davies, Mark; Gaulton, Anna; Papadatos, George; Hersey, Anne; Overngton, John P.
 J Cheminformatics 6 (1) 43 (2014).
InChI Extension Published: (Jun/2014)
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

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