/mutagenicity-prediction

The developed model is for the prediction of mutagenicity of chemical compounds based on the structural information using deep learning neural networks. It could be useful in human and environmental risk assessment and may substitute the available, but less performant ML methods and computational approaches.

Prediction of mutagenicity of a compound using DNN model

  1. Calculate the descriptors of the compound using alvaDesc.
  2. Run the prediction model deepSSLmodel.h5 using compound's descriptor-values as input.
  3. Get the prediction of mutagenicity (mutatagen or nonmutagen)