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README.md
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The ZINC – A Free Database of Commercially Available Compounds for Virtual Screening dataset was used in this tutorial. The dataset comes with molecule formula in SMILE representation along with their respective molecular properties such as logP (water–octanal partition coefficient), SAS (synthetic accessibility score), and QED (Qualitative Estimate of Drug-likeness).
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<details>
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<summary>View Model Plot</summary>
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<details>
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<summary>View samples /summary>
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The ZINC – A Free Database of Commercially Available Compounds for Virtual Screening dataset was used in this tutorial. The dataset comes with molecule formula in SMILE representation along with their respective molecular properties such as logP (water–octanal partition coefficient), SAS (synthetic accessibility score), and QED (Qualitative Estimate of Drug-likeness).
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## Model Plot
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<details>
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<summary>View Model Plot</summary>
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<details>
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<summary>View samples /summary>
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