Metadata-Version: 2.1
Name: toxinet
Version: 0.0.2
Summary: Identifying structural motif with SMILES
Project-URL: Homepage, https://github.com/MatInfoUB/VisualTox
Project-URL: Bug Tracker, https://github.com/mcgomez16/VisualTox_copy
Author-email: "Arpan Mukherjee, An Su, and Krishna Rajan" <krajan3@buffalo.edu>
License-File: LICENCE
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.7
Description-Content-Type: text/markdown

# VisualTox, a deep learning model for chemical toxicity assessment with interpretive visualization

The package provides two major functions:

- Train a Conv+LSTM model with active learning.
- Generate Chemical Activation Map for an example chemical

![](activation_flow.png)

##  Prerequisites

This package requires:

- [Tensorflow](https://www.tensorflow.org/)
- [scikit-learn](http://scikit-learn.org/stable/)
- [RDKit](https://www.rdkit.org/)