Measuring Intra-Assay Agreement for the Ames Salmonella Assay

Piegorsch, Walter W.; Zeiger, Errol

doi:10.1007/978-3-642-48736-1_5

Cited by 79 publications

(63 citation statements)

References 7 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It should also be noted that the average intra-laboratory reproducibility of a series of Ames test data from the National Toxicological Program (NTP) was determined to be 85% [35], hence it is unclear what an accuracy of 90% [25] might mean and our best result is close to the experimental accuracy of the test.…”

Section: Classificationmentioning

confidence: 93%

Recursive Neural Networks for Undirected Graphs for Learning Molecular Endpoints

Walsh

Vullo

Pollastri

2009

Pattern Recognition in Bioinformatics

View full text Add to dashboard Cite

Abstract. Accurately predicting the endpoints of chemical compounds is an important step towards drug design and molecular screening in particular.Here we develop a recursive architecture that is capable of mapping Undirected Graphs into individual labels, and apply it to the prediction of a number of different properties of small molecules. The results we obtain are generally state-of-the-art.The final model is completely general and may be applied not only to prediction of molecular properties, but to a vast range of problems in which the input is a graph and the output is either a single property or (with small modifications) a set of properties of the nodes.

show abstract

Section: Classificationmentioning

confidence: 93%

Recursive Neural Networks for Undirected Graphs for Learning Molecular Endpoints

Walsh

Vullo

Pollastri

2009

Pattern Recognition in Bioinformatics

View full text Add to dashboard Cite

show abstract

“…Validation studies were performed with a number of in vitro and in vivo tests (4,(10)(11)(12)(13)(14)(15)(16)(17)(18)(19). One aspect of test system development and validation was the development ot statistical procedures and approaches for determining the acceptability ofthe test data and for evaluating the test data (20)(21)(22)(23)(24)(25)(26)(27).…”

Section: Assay Selection and Validationmentioning

confidence: 99%

Genetic toxicology: current status of methods of carcinogen identification.

Tennant

Zeiger

1993

Environ Health Perspect

View full text Add to dashboard Cite

A critical aspect ofthe efforts to relate the results of short-term genetic toxicity tests with those from long-term rodent tests for carcinogens is the quality and consistency ofthe studies conducted by the National Toxicology Program. Analysis of the results in relationship to chemical structure has shown that mutagenic potential is a primary risk factor for carcinogen identification. Chemicals positive in the Salmonella assay generally possess "structural alerts" for electrophilic interactions, are predominantly represented among chemicals producing tmns-species carcinogenic effects in rodents, and among those identified as carcinogenic to humans. Current efforts are aimed at defining toxicological, structural, and mechanistic properties of nonmutagens that are carcinogenic in rodents.

show abstract

“…Specific distinct mutations in the histidine and tryptophan synthetic pathways of Salmonella typhimurium and Escherichia coli have been created respectively, that result in the requirement for an exogenous supply of those amino acids for growth. Using genetically bacterial strains, the Ames test produces a high rate of inter-laboratory reproducibility (85%-90%) [40]. This assay has been proved to be the most predictive in vitro assay for rodent and human carcinogenicity [37,41].…”

Section: Introductionmentioning

confidence: 99%

ToxDelta: A New Program to Assess How Dissimilarity Affects the Effect of Chemical Substances

Golbamaki¹,

Franchi²,

Manganelli³

et al. 2017

Drug Des

View full text Add to dashboard Cite

ToxDelta is a new tool for the evaluation of the toxicity of chemicals based on a modified version of the fmcs_R package. Two structurally similar molecules share a maximum common substructure (MCS). In order to evaluate if two similar molecules have different effects, we focused our attention on the molecular fragments which are not in the MCS. These parts may increase or decrease the value of the property. We considered a variation of the MCS concept of efficient relevance in toxicity assessment where the rings of molecules must not be broken. To assess the toxicity of the target chemical, ToxDelta extracts the MCS and delineates the remaining fragments. Each of these moieties represents a difference between two molecules and its relevance in the toxicity assessment is evaluated against a knowledge-based list of active and inactive fragments. ToxDelta considers the dissimilarities of the molecules in a read across approach.

show abstract

Measuring Intra-Assay Agreement for the Ames Salmonella Assay

Cited by 79 publications

References 7 publications

Recursive Neural Networks for Undirected Graphs for Learning Molecular Endpoints

Recursive Neural Networks for Undirected Graphs for Learning Molecular Endpoints

Genetic toxicology: current status of methods of carcinogen identification.

ToxDelta: A New Program to Assess How Dissimilarity Affects the Effect of Chemical Substances

Contact Info

Product

Resources

About