InChI in Drug Discovery Papers

Drug Discovery Papers that cite InChI

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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:

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

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

De Novo Molecular Design with Chemical Language Models
Grisoni, F., Schneider, G.
Artificial Intelligence in Drug Design (2022).
DOI:

CalcUS: An Open-Source Computational Chemistry Web Platform
Raphaël Robidas; Claude Y. Legault

DOI:

The ReIMAGINE Multimodal Warehouse: Using Artificial Intelligence for Accurate Risk Stratification of Prostate Cancer
Aida Santaolalla, Tim Hulsen, Jenson Davis, Hashim U. Ahmed, Caroline M. Moore, Shonit Punwani, Gert Attard, Neil McCartan, Mark Emberton, Anthony Coolen, Mieke Van Hemelrijck
J Alzheimers Dis. 2020; 74(1): 213–225.
DOI: https://dx.doi.org/10.3389%2Ffrai.2021.769582

The CSD Drug Subset: The Changing Chemistry and Crystallography of Small Molecule Pharmaceuticals.
Bryant, Mathew J.; Black, Simon N.; Blade, Helen; Docherty, Robert; Maloney, Andrew G. P.; Taylor, Stefan C.
J Pharm Sci 108 1655-1662 (2019).
DOI: https://staging.inchi-trust.info

The Natural Products Atlas: An Open Access Knowledge Base for Microbial Natural Products Discovery.
van Santen, Jeffrey A.; Jacob, Grégoire; Singh, Amrit Leen; Aniebok, Victor; Balunas, Marcy J.; Bunsko, Derek; Neto, Fausto Carnevale; Castaño-Espriu, Laia; Chang, Chen; Clark, Trevor N.; Cleary Little, Jessica L.; Delgadillo, David A.; Dorrestein, Pieter C.; Duncan, Katherine R.; Egan, Joseph M.; Galey, Melissa M.; Haeckl, F. P. Jake; Hua, Alex; Hughes, Alison H.; Iskakova, Dasha; Khadilkar, Aswad; Lee, Jung-Ho; Lee, Sanghoon; LeGrow, Nicole; Liu, Dennis Y.; Macho, Jocelyn M.; McCaughey, Catherine S.; Medema, Marnix H.; Neupane, Ram P.; O'Donnell, Timothy J.; Paula, Jasmine S.; Sanchez, Laura M.; Shaikh, Anam F.; Soldatou, Sylvia; Terlouw, Barbara R.; Tran, Tuan Anh; Valentine, Mercia; van der Hooft, Justin J. J.; Vo, Duy A.; Wang, Mingxun; Wilson, Darryl; Zink, Katherine E.; Linington, Roger G.
ACS Cent Sci 5 1824-1833 (2019).
DOI: https://staging.inchi-trust.info

PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry.
Nakata, Maho; Shimazaki, Tomomi
J Chem Inf Model 57 1300-1308 (2017).
DOI: https://staging.inchi-trust.info

BIOPEP database of sensory peptides and amino acids.
Iwaniak, Anna; Minkiewicz, Piotr; Darewicz, Małgorzata; Sieniawski, Krzysztof; Starowicz, Piotr
Food Res Int 85 155-161 (2016).
DOI: https://staging.inchi-trust.info