# Predicting Toxicity from Gene Expression with Neural Networks

**Authors:** Peter Eastman, Vijay S. Pande

arXiv: 1902.00060 · 2019-02-04

## TL;DR

This paper presents a neural network model that predicts chemical toxicity from gene expression data, outperforming classical models and aiding in chemical screening and drug evaluation.

## Contribution

Introduces a neural network approach for toxicity prediction from gene expression profiles, demonstrating improved accuracy over traditional models.

## Key findings

- Neural network outperforms classical models on TG-GATEs data.
- Effective in predicting a variety of pathological effects.
- Offers a promising tool for chemical screening and drug evaluation.

## Abstract

We train a neural network to predict chemical toxicity based on gene expression data. The input to the network is a full expression profile collected either in vitro from cultured cells or in vivo from live animals. The output is a set of fine grained predictions for the presence of a variety of pathological effects in treated animals. When trained on the Open TG-GATEs database it produces good results, outperforming classical models trained on the same data. This is a promising approach for efficiently screening chemicals for toxic effects, and for more accurately evaluating drug candidates based on preclinical data.

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Source: https://tomesphere.com/paper/1902.00060