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

• Published in: Expert opinion on drug discovery Vol. 14; no. 4; p. 335
• Main Authors: López-López, Edgar, Naveja, J Jesús, Medina-Franco, José L
• Format: Journal Article
• Language: English
• Published: England 03-04-2019
• Subjects: Algorithms; Big Data; Cheminformatics - methods; Drug Discovery - methods; Humans; Software; chemoinformatics; Big data; data visualization; drug discovery; structure-activity relationships; statistical analysis
• ISSN: 1746-045X
• DOI: 10.1080/17460441.2019.1581170

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.