Open-Source Software Development in Cheminformatics: A Qualitative Analysis of Rationales
Source abstract
Abstract
This qualitative research explored the rationales of open-source development in cheminformatics. The objective was to promote open science by mapping out and categorizing the reasons why open-source development is being carried out. This topic is important because cheminformatics has an industrial background and open-source is the key solution in promoting the growth of cheminformatics as an independent academic field. The data consisted of 87 research articles that were analyzed using qualitative content analysis. The analysis produced six rationale categories: (1) Develop New Software, (2) Update Current Features, Tools, or Processes, (3) Improve Usability, (4) Support Open-source Development and Open Science, (5) Fulfill Chemical Information Needs, and (6) Support Chemistry Learning and Teaching. This classification can be used in designing rationales for future software development projects, which is one of the largest research areas in cheminformatics. In particular, there is a need to develop cheminformatics education for which software development can serve as an interesting multidisciplinary framework.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Genetics, Bioinformatics, and Biomedical Research · Online Learning and Analytics · Scientific Computing and Data Management
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
The Unit of Chemistry Teacher Education, Department of Chemistry, Faculty of Science, University of Helsinki, A.I. Virtasen Aukio 1, 00560 Helsinki, Finland
Faculty of Education, University of Ljubljana, 1000 Ljubljana, Slovenia
Omnia, Lakelankatu 1, 02770 Espoo, Finland
Physical & Analytical Chemistry Laboratory (PachemLab), Department of Chemistry, Faculty of Basic Science, Universidad Metropolitana de Ciencias de la Educación, Santiago 7760197, Chile
Escuela de Postgrado, Universidad Tecnológica Metropolitana, Santiago 8940000, Chile
Funding
University of Helsinki
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