Drug Discovery Papers that cite InChI
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:
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
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
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:
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:
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
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
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
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
Nakata, Maho; Shimazaki, Tomomi
J Chem Inf Model 57 1300-1308 (2017).
DOI: https://staging.inchi-trust.info
ProCarDB: a database of bacterial carotenoids.
Nupur, L. N. U.; Vats, Asheema; Dhanda, Sandeep Kumar; Raghava, Gajendra P. S.; Pinnaka, Anil Kumar; Kumar, Ashwani
BMC Microbiol 16 96 (2016).
DOI: https://staging.inchi-trust.info
Nupur, L. N. U.; Vats, Asheema; Dhanda, Sandeep Kumar; Raghava, Gajendra P. S.; Pinnaka, Anil Kumar; Kumar, Ashwani
BMC Microbiol 16 96 (2016).
DOI: https://staging.inchi-trust.info
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