{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Danieli A"],"funding":["EU LIFE project “Concerting experimental data and in silico models for REACH (LIFE CONCERT REACH)”","European Commission"],"pagination":["9894"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10298077"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["24(12)"],"pubmed_abstract":["A sound assessment of in silico models and their applicability domain can support the use of new approach methodologies (NAMs) in chemical risk assessment and requires increasing the users' confidence in this approach. Several approaches have been proposed to evaluate the applicability domain of such models, but their prediction power still needs a thorough assessment. In this context, the VEGA tool capable of assessing the applicability domain of in silico models is examined for a range of toxicological endpoints. The VEGA tool evaluates chemical structures and other features related to the predicted endpoints and is efficient in measuring applicability domain, enabling the user to identify less accurate predictions. This is demonstrated with many models addressing different endpoints, to"],"journal":["International journal of molecular sciences"],"pubmed_title":["The VEGA Tool to Check the Applicability Domain Gives Greater Confidence in the Prediction of In Silico Models."],"pmcid":["PMC10298077"],"funding_grant_id":["LIFE17 GIE/IT/000461"],"pubmed_authors":["Danieli A","Benfenati E","Carnesecchi E","Colombo E","Sommovigo A","Raitano G","Dorne JCM","Roncaglioni A","Manganaro A","Lombardo A"],"additional_accession":[]},"is_claimable":false,"name":"The VEGA Tool to Check the Applicability Domain Gives Greater Confidence in the Prediction of In Silico Models.","description":"A sound assessment of in silico models and their applicability domain can support the use of new approach methodologies (NAMs) in chemical risk assessment and requires increasing the users' confidence in this approach. Several approaches have been proposed to evaluate the applicability domain of such models, but their prediction power still needs a thorough assessment. In this context, the VEGA tool capable of assessing the applicability domain of in silico models is examined for a range of toxicological endpoints. The VEGA tool evaluates chemical structures and other features related to the predicted endpoints and is efficient in measuring applicability domain, enabling the user to identify less accurate predictions. This is demonstrated with many models addressing different endpoints, to","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jun","modification":"2025-04-19T19:15:16.098Z","creation":"2025-04-19T19:15:16.098Z"},"accession":"S-EPMC10298077","cross_references":{"pubmed":["37373049"],"doi":["10.3390/ijms24129894"]}}