Literature DB >> 35188643

Using VEGAHUB Within a Weight-of-Evidence Strategy.

Serena Manganelli1, Alessio Gamba2, Erika Colombo2, Emilio Benfenati2.   

Abstract

Industrial needs and regulatory requirements have played a significant role in accelerating the use of nontesting methods including in silico tools as alternatives to animal testing. The main interest is not solely on the use of in silico tools, or in read-across, but on better toxicological safety assessment of substances, and for this purpose more advanced, integrated strategies have to be implemented. VEGAHUB wants to promote this broader view, not necessarily focused on a specific approach. Applying multiple tools and complementary approaches instead of one technique may provide more elements for a more robust evaluation, but at the same time it is important to have a conceptual scheme to integrate multiple, heterogeneous lines of evidence. We will show how the user can benefit from the diversity of tools available within the platform VEGAHUB for assessing the biological properties of chemical substances on an example of (non)mutagenicity.
© 2022. The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.

Entities:  

Keywords:  In silico toxicology; Read-across; Safety assessment; Structural alerts; ToxRead; VEGAHUB; Weight-of-evidence

Mesh:

Substances:

Year:  2022        PMID: 35188643     DOI: 10.1007/978-1-0716-1960-5_18

Source DB:  PubMed          Journal:  Methods Mol Biol        ISSN: 1064-3745


  17 in total

1.  Predictive toxicology: benchmarking molecular descriptors and statistical methods.

Authors:  Jun Feng; Laura Lurati; Haojun Ouyang; Tracy Robinson; Yuanyuan Wang; Shenglan Yuan; S Stanley Young
Journal:  J Chem Inf Comput Sci       Date:  2003 Sep-Oct

2.  Data mining and machine learning techniques for the identification of mutagenicity inducing substructures and structure activity relationships of noncongeneric compounds.

Authors:  Christoph Helma; Tobias Cramer; Stefan Kramer; Luc De Raedt
Journal:  J Chem Inf Comput Sci       Date:  2004 Jul-Aug

3.  Derivation and validation of toxicophores for mutagenicity prediction.

Authors:  Jeroen Kazius; Ross McGuire; Roberta Bursi
Journal:  J Med Chem       Date:  2005-01-13       Impact factor: 7.446

4.  Towards the creation of an international toxicology information centre.

Authors:  Philip N Judson; Paul A Cooke; Nancy G Doerrer; Nigel Greene; Robert P Hanzlik; Christopher Hardy; Andreas Hartmann; David Hinchliffe; Julie Holder; Lutz Müller; Thomas Steger-Hartmann; Andreas Rothfuss; Mark Smith; Karluss Thomas; Jonathan D Vessey; Errol Zeiger
Journal:  Toxicology       Date:  2005-09-15       Impact factor: 4.221

5.  Automatic knowledge extraction from chemical structures: the case of mutagenicity prediction.

Authors:  T Ferrari; D Cattaneo; G Gini; N Golbamaki Bakhtyari; A Manganaro; E Benfenati
Journal:  SAR QSAR Environ Res       Date:  2013-05-28       Impact factor: 3.000

6.  ToxRead: a tool to assist in read across and its use to assess mutagenicity of chemicals.

Authors:  G Gini; A M Franchi; A Manganaro; A Golbamaki; E Benfenati
Journal:  SAR QSAR Environ Res       Date:  2014-12-15       Impact factor: 3.000

7.  Integrated In Silico Models for the Prediction of No-Observed-(Adverse)-Effect Levels and Lowest-Observed-(Adverse)-Effect Levels in Rats for Sub-chronic Repeated-Dose Toxicity.

Authors:  Domenico Gadaleta; Marco Marzo; Andrey Toropov; Alla Toropova; Giovanna J Lavado; Sylvia E Escher; Jean Lou C M Dorne; Emilio Benfenati
Journal:  Chem Res Toxicol       Date:  2020-08-04       Impact factor: 3.739

8.  Mutagenicity, anticancer activity and blood brain barrier: similarity and dissimilarity of molecular alerts.

Authors:  Andrey A Toropov; Alla P Toropova; Emilio Benfenati; Mario Salmona
Journal:  Toxicol Mech Methods       Date:  2018-01-16       Impact factor: 2.987

9.  An analysis of genetic toxicity, reproductive and developmental toxicity, and carcinogenicity data: I. Identification of carcinogens using surrogate endpoints.

Authors:  Edwin J Matthews; Naomi L Kruhlak; Michael C Cimino; R Daniel Benz; Joseph F Contrera
Journal:  Regul Toxicol Pharmacol       Date:  2005-12-28       Impact factor: 3.271

10.  QSAR Development for Plasma Protein Binding: Influence of the Ionization State.

Authors:  Cosimo Toma; Domenico Gadaleta; Alessandra Roncaglioni; Andrey Toropov; Alla Toropova; Marco Marzo; Emilio Benfenati
Journal:  Pharm Res       Date:  2018-12-27       Impact factor: 4.200

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