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Bioactive natural products (NPs) are valuable sources for biomedical and various applications. Comprehensive information on their species sources and quantitative properties (including compositions, bioactivities, and toxicities) is of great utility to the research community. Here, we introduced NPASS 3.0 with major updates to significantly expand the previous version and add new data derived from emerging technologies. Firstly, we manually curated new records from 1822 publications to provide: (i) an additional 87 507 quantitative composition records for 4873 NPs in 1030 species and (ii) 878 NPs produced by 341 symbiont organisms and 164 elicitor-responsive organisms, together with an additional 109 engineered organisms and 43 co-culture organisms. Secondly, 34 975 new quantitative toxicity records for 3662 NPs and 9713 quantitative ADME records for 744 NPs. Thirdly, this update substantially increased the records of NPASS, with 9.37%-206.30% data expansion over NPASS 2.0. Currently, NPASS includes 204 023 NPs, 48 940 organisms, 8764 targets, 1 048 756 experimental activity records, 34 975 toxicity records, 9713 quantitative ADME records, 208 415 NP composition records, and 1 117 269 organism-NP pairs. Furthermore, bioactivities were grouped into three classes for better serving pharmaceutical research. We also updated the NPASS web interface, which includes an enhanced search option and a submission page for crowdsourcing curation. NPASS 3.0 is accessible at https://bidd.group/NPASS/index.php.
Lin et al. (Mon,) studied this question.