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README.md
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# HMGCR_1K
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- This dataset consists of ~1K HMGCR inhibitors downloaded from bindingDB.org.
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- Each molecule with a Na counterion has been duplicated without the counterion.
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- Molecules have been classified accordin to IC50 values into 3 classes: < 50 nM,
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<500 nM, > 500 nM.
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