Literature DB >> 25511972

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

G Gini1, A M Franchi, A Manganaro, A Golbamaki, E Benfenati.   

Abstract

Life sciences, and toxicology in particular, are heavily impacted by the development of methods for data collection and data analysis; they are moving from an analytical approach to a modelling approach. The scarce availability of experimental data is a known bottleneck in assessing the properties of new chemicals. Even when a model is available, the resulting predictions have to be assessed by close scrutiny of the chemicals and the biological properties of the compounds concerned. To avoid unnecessary testing, a read across strategy is often suggested and used. In this paper we discuss how to improve and standardize read across activity using ad hoc visualization and data search methods which use similarity measures and fragment search to organize in a chart a picture of all the relevant information that the expert needs to make an assessment. We show in particular how to apply our system to the case of mutagenicity.

Keywords:  QSAR; REACH; SAR; VEGA; mutagenicity; read across; similarity

Mesh:

Substances:

Year:  2014        PMID: 25511972     DOI: 10.1080/1062936X.2014.976267

Source DB:  PubMed          Journal:  SAR QSAR Environ Res        ISSN: 1026-776X            Impact factor:   3.000


  10 in total

1.  Navigating through the minefield of read-across tools: A review of in silico tools for grouping.

Authors:  Patlewicz Grace; Helman George; Pradeep Prachi; Shah Imran
Journal:  Comput Toxicol       Date:  2017-08

2.  Exploring current read-across applications and needs among selected U.S. Federal Agencies.

Authors:  Grace Patlewicz; Lucina E Lizarraga; Diego Rua; David G Allen; Amber B Daniel; Suzanne C Fitzpatrick; Natàlia Garcia-Reyero; John Gordon; Pertti Hakkinen; Angela S Howard; Agnes Karmaus; Joanna Matheson; Moiz Mumtaz; Andrea-Nicole Richarz; Patricia Ruiz; Louis Scarano; Takashi Yamada; Nicole Kleinstreuer
Journal:  Regul Toxicol Pharmacol       Date:  2019-05-10       Impact factor: 3.271

3.  Using VEGAHUB Within a Weight-of-Evidence Strategy.

Authors:  Serena Manganelli; Alessio Gamba; Erika Colombo; Emilio Benfenati
Journal:  Methods Mol Biol       Date:  2022

4.  Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data.

Authors:  Fabiola Pizzo; Domenico Gadaleta; Anna Lombardo; Orazio Nicolotti; Emilio Benfenati
Journal:  Chem Cent J       Date:  2015-11-05       Impact factor: 4.215

5.  Filling data gap for nicotinic acid, nicotinate esters and nicotinamide for the determination of permitted daily exposure by a category approach.

Authors:  Mohammad Charehsaz; Gulcin Tugcu; Ahmet Aydin
Journal:  Toxicol Res       Date:  2020-11-05

6.  Internationalization of read-across as a validated new approach method (NAM) for regulatory toxicology.

Authors:  Costanza Rovida; Tara Barton-Maclaren; Emilio Benfenati; Francesca Caloni; P. Charukeshi Chandrasekera; Christophe Chesné; Mark T D Cronin; Joop De Knecht; Daniel R Dietrich; Sylvia E Escher; Suzanne Fitzpatrick; Brenna Flannery; Matthias Herzler; Susanne Hougaard Bennekou; Bruno Hubesch; Hennicke Kamp; Jaffar Kisitu; Nicole Kleinstreuer; Simona Kovarich; Marcel Leist; Alexandra Maertens; Kerry Nugent; Giorgia Pallocca; Manuel Pastor; Grace Patlewicz; Manuela Pavan; Octavio Presgrave; Lena Smirnova; Michael Schwarz; Takashi Yamada; Thomas Hartung
Journal:  ALTEX       Date:  2020-04-30       Impact factor: 6.250

7.  CPANNatNIC software for counter-propagation neural network to assist in read-across.

Authors:  Viktor Drgan; Špela Župerl; Marjan Vračko; Claudia Ileana Cappelli; Marjana Novič
Journal:  J Cheminform       Date:  2017-05-22       Impact factor: 5.514

8.  In silico identification of protein targets for chemical neurotoxins using ToxCast in vitro data and read-across within the QSAR toolbox.

Authors:  Y G Chushak; H W Shows; J M Gearhart; H A Pangburn
Journal:  Toxicol Res (Camb)       Date:  2018-03-12       Impact factor: 3.524

9.  Virtual Extensive Read-Across: A New Open-Access Software for Chemical Read-Across and Its Application to the Carcinogenicity Assessment of Botanicals.

Authors:  Edoardo Luca Viganò; Erika Colombo; Giuseppa Raitano; Alberto Manganaro; Alessio Sommovigo; Jean Lou Cm Dorne; Emilio Benfenati
Journal:  Molecules       Date:  2022-10-05       Impact factor: 4.927

10.  Antifouling Napyradiomycins from Marine-Derived Actinomycetes Streptomyces aculeolatus.

Authors:  Florbela Pereira; Joana R Almeida; Marisa Paulino; Inês R Grilo; Helena Macedo; Isabel Cunha; Rita G Sobral; Vitor Vasconcelos; Susana P Gaudêncio
Journal:  Mar Drugs       Date:  2020-01-18       Impact factor: 5.118

  10 in total

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