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title
DrugOOD: OOD Dataset Curator and Benchmark for AI-aided Drug Discovery
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Drug AI OOD Dataset Curator and Benchmark
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2026-03-02 02:46:07
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DrugOOD: OOD Dataset Curator and Benchmark for AI-aided Drug Discovery | DrugOOD DrugOOD: OOD Dataset Curator and Benchmark for AI-aided Drug Discovery Drug AI OOD Dataset Curator and Benchmark DrugOOD: OOD Dataset Curator and Benchmark for AI-aided Drug Discovery News 2023: DrugOOD will be presented at AAAI 2023. 2022: We have released 96 realized exemplar datasets based on the DrugOOD curator. They can be downloaded from https://drive.google.com/drive/folders/19EAVkhJg0AgMx7X-bXGOhD4ENLfxJMWC . They are based on the ChEMBL 30 database released on Feb. 2022. July 2022: DrugOOD is presented at the “DataPerf Workshop at ICML 2022” Project Description AI-aided drug discovery (AIDD) is gaining increasing popularity due to its promise of making the search for new pharmaceuticals quicker, cheaper and more efficient. Inspite of its extensive use in many fields, such as ADMET prediction, virtual screening, protein folding and generative chemistry, little...
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