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Identification of Flavouring Substances of Genotoxic Concern Present in E-Cigarette Refills
investigated in silico with two complementary (quantitative) structure-activity relationship ((Q) SAR) models (Derek Nexus, Sarah Nexus). In total, 57 flavouring components were identified with a structural ...
Performance of in silico models for mutagenicity prediction of food contact materials
Toxicological Sciences, Volume 163, Issue 2 (2018) Keywords: (Q)SAR food contact materials In silico mutagenicity VALIDATION Abstract: In silico methodologies, such as (quantitative) structure-activity ...
Coatings in food contact materials: Potential source of genotoxic contaminants?
two structure-activity relationship (SAR) software programs. For substances yielding structural alerts in both models, genotoxicity data were collected from previous European evaluations in a non- FCM ...
(Q)SAR tools for priority setting: A case study with printed paper and board food contact material substances.
Chemicals Paper Quantitative Structure-Activity Relationship SOFTWARE Abstract: Over the last years, more stringent safety requirements for an increasing number of chemicals across many regulatory fields ...
Mycobacterium tuberculosis-associated synthetic mycolates differentially exert immune stimulatory adjuvant activity
chain. In this study, we addressed the relationship between the MA molecular structure and their contribution to the development of T-cell immune responses. Hereto, we used the model antigen ovalbumin and ...
Linking existing in vitro dermal absorption data to physicochemical properties: Contribution to the design of a weight-of-evidence approach for the safety evaluation of cosmetic ingredients with low dermal bioavailability.
No-Observed-Adverse-Effect Level Risk Assessment SKIN Skin Absorption Structure-Activity Relationship Toxicity Tests Abstract: To characterize the risk of cosmetic ingredients when threshold toxicity is assumed, often the ...
Synthesis and anti-tubercular activity of N(2)-arylbenzo[g]isoquinoline-5,10-dione-3-iminium bromides.
Sensitivity Tests Molecular Conformation Mycobacterium tuberculosis Structure-Activity Relationship Tuberculosis, Multidrug-Resistant Abstract: Tuberculosis has remained a challenge for medicinal chemists ...
Anti-mycobacterial activity of 1,3-diaryltriazenes.
Macrophages mice Microbial Sensitivity Tests Molecular Structure Mycobacterium avium Mycobacterium bovis Mycobacterium ulcerans Structure-Activity Relationship Triazenes Abstract: The rapid generation and ...
2,4-Dialkyl-8,9,10,11-tetrahydrobenzo[g]pyrimido[4,5-c]isoquinoline-1,3,7,12(2H,4H)-tetraones as new leads against Mycobacterium tuberculosis.
Molecular Structure Mycobacterium tuberculosis Pyrimidinones Quinones Structure-Activity Relationship Tuberculosis, Multidrug-Resistant Abstract: Given the re-emergence of tuberculosis in Europe and beyond, ...
Biological evaluation of bisbenzaldehydes against four Mycobacterium species.
Cultured Dose-Response Relationship, Drug Drug Resistance, Bacterial Hepatocytes Host-Pathogen Interactions Humans Macrophages mice Microbial Sensitivity Tests Molecular Structure Mycobacterium Mycobacterium ...