Journal of chemical information and modelingModelsMolecularQuantitative Structure-Activity RelationshipSoftwareReproducibility of Results
ADvisor: An Open-Source Tool for Applicability Domain Definition and Optimization in Molecular Predictive Modeling.
Lisa Piazza, Clarissa Poles, Giulia Bononi, Carlotta Granchi, Miriana Di Stefano, Giulio Poli, Marco Macchia, Tiziano Tuccinardi
Published: 202510.1021/acs.jcim.5c01672
Abstract
The Applicability Domain (AD) is a critical element in ensuring the reliability of in silico models for chemical safety assessment, as it defines the space within which model predictions can be considered valid. Despite its relevance, AD is often imp…
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