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Chemical database techniques in drug discovery

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NATURE REVIEWS DRUG DISCOVERY
卷 1, 期 3, 页码 220-227

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NATURE PUBLISHING GROUP
DOI: 10.1038/nrd745

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Chemical databases are becoming a powerful tool in drug discovery. Database searches based on possible requirements for biological activity can identify compounds that might be suitable for further analysis or indicate novel ways to achieve the desired activity. What considerations are involved in the construction and searching of chemical databases?

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