부산대학교 도서관

In the field of machine learning (ML) and artificial intelligence (AI) publication of code is more commonly applied. Abbreviations AI Artificial intelligence CADD Computer-aided drug design FAIR Findable, accessible, interoperable, and reusable HTS High-throughput screening InChI International chemical identifier IP Intellectual property ML Machine learning MMPA Matched molecular pair analysis SMILES Simplified molecular input line entry system QSAR Quantitative structure activity relationship Publisher's Note Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations. The Special Collection "Biomedical Data Analyses Facilitated by Open Cheminformatics Workflows" (https://www.biomedcentral.com/collections/BDAOCW) aimed to collect and publish cheminformatics workflows for curation and analysis of diverse life science data sets. [Extracted from the article]