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README.md
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## Validation by Docking-based Virtual Screening
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Validation by Docking-based Virtual Screening (DBVS) is finished, showing promising hit rates — ranging from 26% to 58% within the top 100
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However, some of the methods used are adapted from my undergraduate thesis, which is still in progress and pending publication.
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Detailed results and methodologies will be fully disclosed after the thesis is published.
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## Validation by Docking-based Virtual Screening
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Validation by Docking-based Virtual Screening (DBVS) is finished, showing promising hit rates — ranging from 26% to 58% within the top 100 similar compounds from SuperNatural3 using the averaged embeddings of nAChR α4β2 partial agonists, depending on the threshold applied.
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However, some of the methods used are adapted from my undergraduate thesis, which is still in progress and pending publication.
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Detailed results and methodologies will be fully disclosed after the thesis is published.
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