Tox-Prediction

Here you can search for an input compound via pubchem:

Pubchem-Name: e.g. Tamoxifen Tolcapone Vorinostat Troglitazone Aspirin
Canonical Smiles: e.g. CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

Here you can get a tox-prediction for any input compound:


Selected molecule : Tamoxifen

To load a molecule click load_icon.png. The erase_atom.png deletes clicked atoms
and clear_icon.png deletes everything on the canvas.






Please select any additional models to predict:
(Acute Toxicity is always computed, further models can take ~10s time each)

Organ Toxicity

Hepatotoxicity

Toxicity end points

Carcinogenicity Immunotoxicity Mutagenicity Cytotoxicity

Tox21 Nuclear receptor signalling pathways

Aryl hydrocarbon Receptor (AhR)
Androgen Receptor (AR)
Androgen Receptor Ligand Binding Domain (AR-LBD)
Aromatase
Estrogen Receptor Alpha (ER)
Estrogen Receptor Ligand Binding Domain (ER-LBD)
Peroxisome Proliferator Activated Receptor Gamma (PPAR-Gamma)

Tox21 Stress response pathways

Nuclear factor (erythroid-derived 2)-like 2/antioxidant responsive element (nrf2/ARE)
Heat shock factor response element (HSE)
Mitochondrial Membrane Potential (MMP)
Phosphoprotein (Tumor Suppressor) p53
ATPase family AAA domain containing protein 5 (ATAD5)