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Nyroindia
Giribio 2d 3d ADME EPA Bioactivity Chembl Chemical space Data
  1. Workflow
    GGP2105: 2Dto3D Chemical Structures
    Giribio Nyroindia 2d
    +1
    Merge multiple 2D/3D Mol/SDF file to 1 3D SDF 3D Convertor with CDK or MMFF Geometry Optimizations Input: Define a directory or f…
    nyroindia > Workshops by Girinath (@giribio) on CADD > GGP2105_2Dto3D
    2
    nyroindia
  2. Workflow
    GGP2107 Predictive Toxicity (US EPA)
    Giribio Nyroindia Toxicity
    +2
    Predict mutagenicity, carcinogenecity, developmental toxicity, skin sensitization, fish acute toxicity, ALogP, Fathead Minnow, Da…
    nyroindia > Workshops by Girinath (@giribio) on CADD > GGP2107_DevTox
    1
    nyroindia
  3. Workflow
    Extract SMILES or other data from ChEMBL
    Giribio Nyroindia Chembl
    +5
    Pull any data (SMILES, Activity, Assay, others from ChEMBL via API GET services) Input: CSV or List of ChEMBL ID (Target or Molec…
    nyroindia > Workshops by Girinath (@giribio) on CADD > GGP2113_ChEMBLSMILES
    1
    nyroindia