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...

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Bibliographic Details
Main Authors: Ulf Norinder, Glenn Myatt, Ernst Ahlberg
Format: Article
Language:English
Published: MDPI AG 2018-08-01
Series:Biomolecules
Subjects:
Online Access:http://www.mdpi.com/2218-273X/8/3/85