InChI: open-source chemical structure representation algorithm

SciencePapers Data Dump

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
Computational methods on food contact chemicals: Big data and in silico screening on nuclear receptors family
Pietro Cozzini; Francesca Cavaliere; Giulia Spaggiari; Gianluca Morelli; Marco Riani, Chemosphere 292 (2022) 133422.
DOI: https://doi.org/10.1016/j.chemosphere.2021.133422
Full Citation ; more papers on: Science
De Novo Molecular Design with Chemical Language Models
Grisoni, F., Schneider, G., Artificial Intelligence in Drug Design (2022).
DOI:
Full Citation ; more papers on: Drug Design
A chemical kinetic mechanism for combustion and flame propagation of CH2F2/O2/N2 mixtures
Donald R. Burgess Jr., Valeri I. Babushok, Jeffrey A. Manion, Int. J. Chem. Kinet. 61 (2021)
DOI: https://doi.org/10.1002/kin.21549
Full Citation ; more papers on: Science
A potential role of nitric oxide in postharvest pest control: A review
S.J.Granella, T.R.Bechlin; D.Christa; S.R.M.Coelho, J Saudi Soc Ag Sci (2021).
DOI: https://doi.org/10.1016/j.jssas.2021.12.002
Full Citation ; more papers on: Science
Using deep neural networks to explore chemical space
Martin Vogt, Expert Opinion on Drug Disc (2021).
DOI: https://doi.org/10.1080/17460441.2022.2019704
Full Citation ; more papers on: Drug Design
Data Centric Molecular Analysis and Evaluation of Hepatocellular Carcinoma Therapeutics Using Machine Intelligence-Based Tools
Rengul Cetin-Atalay; Deniz Cansen Kahraman; Esra Nalbat; Ahmet Sureyya Rifaioglu; Ahmet Atakan; Ataberk Donmez; Heval Atas; M. Volkan Atalay; Aybar C. Acar; Tunca Doğan, J Gastrointestinal Cancer (2021)
DOI:
Full Citation ; more papers on: Drug Design
InChIs and Registry Numbers
Leigh, Jeffrey, J Cheminform 13 40 (2021).
DOI: https://doi.org/10.1515/ci.2012.34.6.23
Full Citation ; more papers on: InChI Overview