Skin Doctor: Machine Learning Models for Skin Sensitization Prediction that Provide Estimates and Indicators of Prediction Reliability

Skin Doctor: Machine Learning Models for Skin Sensitization Prediction that Provide Estimates and Indicators of Prediction Reliability

The ability to predict the skin sensitization potential of small organic molecules is of high importance to the development and safe application of cosmetics, drugs and pesticides. One of the most widely accepted methods for predicting this hazard is the local lymph node assay (LLNA). The goal of th...

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Bibliographic Details
Main Authors: Anke Wilm, Conrad Stork, Christoph Bauer, Andreas Schepky, Jochen Kühnl, Johannes Kirchmair
Format: Article
Language:English
Published: MDPI AG 2019-09-01
Series:International Journal of Molecular Sciences
Subjects:
skin sensitization potential
prediction
in silico models
machine learning
local lymph node assay (llna)
cosmetics
drugs
pesticides
chemical space
applicability domain
Online Access:https://www.mdpi.com/1422-0067/20/19/4833

Internet

https://www.mdpi.com/1422-0067/20/19/4833

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