Datasets:

maomlab
/

Liability

Tasks:

Tabular Classification

Tabular Regression

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Medicinal Chemistry

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haneulpark commited on Jul 14

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@@ -146,7 +146,7 @@ dataset_info:
     - name: "ROMol"
       dtype: string
 ---
-# Liability (Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds)
 “Liability Predictor,” a free web tool to predict HTS artifacts has been created with HTS datasets for thiol reactivity, redox activity, and luciferase (firefly and nano) activity, and each dataset contains ~5000 compounds.
 The datasets uploaded to our Hugging Face repository have been sanitized using RDKit and MolVS.

     - name: "ROMol"
       dtype: string
 ---
+# Liability (Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds)
 “Liability Predictor,” a free web tool to predict HTS artifacts has been created with HTS datasets for thiol reactivity, redox activity, and luciferase (firefly and nano) activity, and each dataset contains ~5000 compounds.
 The datasets uploaded to our Hugging Face repository have been sanitized using RDKit and MolVS.