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We have created a new mutagenicity benchmark data set with around 8,000 compounds.
In this work we were able to create a new mutagenicity data set (Set 3) containing more than 8000 compounds.
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Expression of human enzymes in bacterial cells has made possible the development of a new generation of mutagenicity assays.
Mutagen contains mutagenicity categories ("mutagen" or "nonmutagen") for 4335 compounds from Kazius et al.[17].[17]
Therefore the results demonstrate that the described computation methods are useful to identify potential anticancer peptides, which are worthy of further experimental validation and 2 peptides (ARP788.8 and ARP788.21) of HIV-1 proteintein can be used as new anticancer candidates without mutagenicity.
The aim of this study is to provide new data on the potential mutagenicity of MPH in children.
We demonstrate the synergy between Bioclipse and R by constructing a decision support system for virtual screening and mutagenicity testing of new cancer drugs.
This section describes the workflow for constructing the decision support system for virtual screening and mutagenicity testing of new cancer drugs.
We used the Salmonella/microsome mutagenicity assay to test the new compounds for mutagenic activity.
Relevant literature was analysed to find a mechanistic rationale for the mined features, which resulted in four new structural alerts for in vitro mutagenicity.
Substantial new toxicologic data (although none on mutagenicity) derived from studies of TCA, DCA, and chloral hydrate (CH) inform all these issues.
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