DataWarrior: an evaluation of the open-source drug discovery tool

Expert Opinion on Drug Discovery
Edgar López-LópezJosé L Medina-Franco

Abstract

DataWarrior is open and interactive software for data analysis and visualization that integrates well-established and novel chemoinformatics algorithms in a single environment. Since its public release in 2014, DataWarrior has been used by research groups in universities, government, and industry. Areas covered: Herein, the authors discuss, in a critical manner, the tools and distinct technical features of DataWarrior and analyze the areas of opportunity. Authors also present the most common applications as well as emerging uses in research areas beyond drug discovery with an emphasis on multidisciplinary projects. Expert opinion: In the era of big data and data-driven science, DataWarrior stands out as a technology that combines prediction of physicochemical properties of pharmaceutical interest, cheminformatics calculations, multivariate data analysis, and interactive visualization with dynamic plots. The well-established chemoinformatics tools implemented in DataWarrior, as well as the innovative algorithms, make the technology useful and attractive as revealed by the increasing number of documented applications.

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Citations

May 15, 2019·International Journal of Molecular Sciences·Giuseppe FlorestaVincenzo Abbate
Feb 16, 2020·Journal of Computer-aided Molecular Design·Edgar López-LópezJosé L Medina-Franco
Mar 9, 2020·Molecular Diversity·Hiteshi TandonVandana Suhag
Oct 27, 2020·Journal of Biomolecular Structure & Dynamics·Joyce Oloaigbe OgidigoMahmoud E S Soliman
Nov 21, 2020·Biomolecules·José L Medina-Franco, Fernanda I Saldívar-González
Jan 13, 2021·Pharmaceutics·Ekaterina P VasyuchenkoMarine E Bozdaganyan
Jan 30, 2021·Bioorganic & Medicinal Chemistry Letters·Nikalet EversonScott Eagon
Dec 9, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Jeysson Sánchez-SuárezEricsson Coy-Barrera
May 1, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Edgar López-LópezJosé L Medina-Franco
Jun 19, 2021·Journal of Computer-aided Molecular Design·José L Medina-FrancoBárbara I Díaz-Eufracio
Jan 1, 2021·Journal of Chemical Information and Modeling·Edgar López-LópezJosé L Medina-Franco
Oct 5, 2021·Bioorganic & Medicinal Chemistry Letters·Scott EagonJeremy P Mallari

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