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  1. PGMP_v1 PGMP_v1 Public

    PGMP_v1 is an online tool hosted on Google Colab that predict the peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulatory property (1 = Active, 0 = Inactive) of a small molecule an…

  2. pDILI_v1 pDILI_v1 Public

    pDILI_v1 is a python package that allows users to predict the association of drug-induced liver injury of a small molecule (1 = RISKy, 0 = Non-RISKy) and also visualize the molecule.

    Python

  3. ML-study-of-non-hydroxamate-HDAC3i ML-study-of-non-hydroxamate-HDAC3i Public

    Machine learning (ML) study of non-hydroxamate HDAC3 inhibitors. This Google Colab notebook is a supplementary material of the article "A semiempirical and machine learning approach for fragment-ba…

    Jupyter Notebook