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1. rdkit_summary rdkit_summary Public

   rdkit总结与实践

   Jupyter Notebook 203 86

2. Hepatotoxicity_predictor Hepatotoxicity_predictor Public

   Development of hepatotoxicity prediction model based on 2384 DILI-labeled drugs by using diparametric optimization method.

   Jupyter Notebook 3

3. pharmacokinetic_prediction pharmacokinetic_prediction Public

   Prediction of intravenous pharmacokinetic parameters, including fu, MRT, t1/2, VD and CL, by training on 1352 compounds.

   Python 4 9

4. Panax_age_predictor Panax_age_predictor Public

   Predict the cultivation age of Radix of Panax quinquefolium by machine learning method based on 106 samples.

   Jupyter Notebook 4 1

5. PubChemPy PubChemPy Public

   Forked from mcs07/PubChemPy

   Convertion between SMILES and names

   Python 2 2

6. Polygonum_database_analysis Polygonum_database_analysis Public

   Cheminformatics analysis of the natural products of Polygonum multiflorum.