Papers in various topics of “Drug Discovery”

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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:

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

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:

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

DOI:

CVDHD: a cardiovascular disease herbal database for drug discovery and network pharmacology.
Gu, Jiangyong; Gui, Yuanshen; Chen, Lirong; Yuan, Gu; Xu, Xiaojie
J Cheminform 5 51 (2013).
DOI: https://staging.inchi-trust.info

Extending the “web of drug identity” with knowledge extracted from United States product labels.
Hassanzadeh, Oktie; Zhu, Qian; Freimuth, Robert; Boyce, Richard
AMIA Jt Summits Transl Sci Proc 2013 64-68 (2013).
DOI: https://staging.inchi-trust.info

Extracting and connecting chemical structures from text sources using chemicalize.org.
Southan, Christopher; Stracz, Andras
J Cheminform 5 20 (2013).
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

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