Put a SMILES string in the box and press Predict to run an example Pytorch NN predicting Ames mutagenicity.
This is a sandbox model that uses 2048 bit Morgan fingerprints.
It is a trained MLP with 128 nodes in the hidden layer and a single output node.
It was trained on the Xu[1] dataset of over 7000 molecules with Ames test results.
[1]Xu, C.; Cheng, F.; Chen, L.; Du, Z.; Li, W.; Liu, G.; Lee, P. W.; Tang, Y. In silico prediction of chemical Ames mutagenicity. Journal of chemical information and modeling 2012, 52 (11), 2840-2847.