Predicting Aromatic Amine Mutagenicity with Confidence: A Case Study Using Conformal Prediction
The occurrence of mutagenicity in primary aromatic amines has been investigated using conformal prediction. The results of the investigation show that it is possible to develop mathematically proven valid models using conformal prediction and that the existence of uncertain classes of prediction, su...
Main Authors: | Ulf Norinder, Glenn Myatt, Ernst Ahlberg |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2018-08-01
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Series: | Biomolecules |
Subjects: | |
Online Access: | http://www.mdpi.com/2218-273X/8/3/85 |
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