144631 20260217205545.0 doi 10.1016/j.trechm.2024.06.008 sideral 139472 ART-2024-139472 eng Dalmau, David Integrating digital chemistry within the broader chemistry community 2024 The rapid progress of digital chemistry has profoundly transformed chemical research. Despite this evolution, there are implementation gaps that hinder the widespread adoption of such digital protocols among a significant portion of the chemistry community. For example, technologies such as computational chemistry and machine learning often present steep learning curves that discourage potential users who could otherwise benefit from them. This review focuses on classical and recent advances in the automation and generalization of digital chemistry, examining the evolution of the field while highlighting popular cheminformatics tools.We elaborate on efforts from different groups in automating quantum chemistry and machine learning workflows, with the goal of bridging implementation gaps and making these technologies accessible to the broader chemistry community. info:eu-repo/grantAgreement/ES/DGA/E07-23R info:eu-repo/grantAgreement/ES/DGA/E17-23R info:eu-repo/semantics/closedAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 13.6 2024 CHEMISTRY, MULTIDISCIPLINARY 22 / 239 = 0.092 2024 Q1 T1 2.824 2024 Chemistry (miscellaneous) 2024 Q1 22.9 2024 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Alegre-Requena, Juan V. (orcid)0000-0002-0769-7168 6, 8 (2024), 459-469 Trends in Chemistry 2589-5974 2702356 http://zaguan.unizar.es/record/144631/files/texto_completo.pdf Versión publicada 2773237 http://zaguan.unizar.es/record/144631/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:144631 articulos driver 2026-02-17-20:37:58 ARTICLE