A Bayesian neural network for toxicity prediction

BioRxiv : the Preprint Server for Biology
Elizaveta SemenovaS. E. Lazic

Abstract

Predicting the toxicity of a compound preclinically enables better decision making, thereby reducing development costs and increasing patient safety. It is a complex issue, but in vitro assays and physicochemical properties of compounds can be used to predict clinical toxicity. Neural networks (NNs) are a popular predictive tool due to their flexibility and ability to model non-linearities, but they are prone to overfitting and therefore are not recommended for small data sets. Furthermore, they do not provide uncertainty in the predictions. Bayesian neural networks (BNNs) are able to avoid these pitfalls by using prior distributions on the parameters of a NN model and representing uncertainty about the predictions in the form of a distribution. We model the severity of drug-induced liver injury (DILI) to provide an example of a BNN performing better than a traditional but less flexible proportional odds logistic regression (POLR) model. We use appropriate metrics to evaluate predictions of the ordinal data type. To demonstrate the effect of a hierarchical prior for BNNs as an alternative to hyperparameter optimisation for NNs, we compare the performance of a BNN against NNs with dropout or penalty regularisation. We reduce the...Continue Reading

Related Concepts

Cell Aging
Telomere Shortening
Neoplasms
Bio-Informatics
Massively-Parallel Sequencing
Telomere
Malignant Neoplasms
Genome Sequencing
Whole Genome Sequencing
Tumor Suppression

Related Feeds

BioRxiv & MedRxiv Preprints

BioRxiv and MedRxiv are the preprint servers for biology and health sciences respectively, operated by Cold Spring Harbor Laboratory. Here are the latest preprint articles (which are not peer-reviewed) from BioRxiv and MedRxiv.

Cancer Sequencing

Several sequencing approaches are employed to understand and examine tumor development and progression. These include whole genome as well as RNA sequencing. Here is the latest research on cancer sequencing.

Bioinformatics in Biomedicine (Preprints)

Bioinformatics in biomedicine incorporates computer science, biology, chemistry, medicine, mathematics and statistics. Discover the latest preprints on bioinformatics in biomedicine here.

Cell Aging (Preprints)

This feed focuses on cellular aging with emphasis on the mitochondria, autophagy, and metabolic processes associated with aging and longevity. Here is the latest research on cell aging.

Related Papers

Experimental Gerontology
C B HarleyR C Allsopp
The Journals of Gerontology. Series A, Biological Sciences and Medical Sciences
A de Grey
BioRxiv : the Preprint Server for Biology
Luiz Carlos Irber Junior, C. Titus Brown
© 2020 Meta ULC. All rights reserved