67 million natural product-like compound database generated via molecular language processing.
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ABSTRACT:
SUBMITTER: Tay DWP
PROVIDER: S-EPMC10199072 | biostudies-literature | 2023 May
REPOSITORIES: biostudies-literature
Publications
67 million natural product-like compound database generated via molecular language processing.
Tay Dillon W P DWP Yeo Naythan Z X NZX Adaikkappan Krishnan K Lim Yee Hwee YH Ang Shi Jun SJ
Scientific data 20230519 1
Natural products are a rich resource of bioactive compounds for valuable applications across multiple fields such as food, agriculture, and medicine. For natural product discovery, high throughput in silico screening offers a cost-effective alternative to traditional resource-heavy assay-guided exploration of structurally novel chemical space. In this data descriptor, we report a characterized database of 67,064,204 natural product-like molecules generated using a recurrent neural network traine ...[more]
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