Search Results - "Schultz, Terry W"

Identification and description of the uncertainty, variability, bias and influence in quantitative structure-activity relationships (QSARs) for toxicity prediction by Cronin, Mark T.D., Richarz, Andrea-Nicole, Schultz, Terry W.

“…Improving regulatory confidence in, and acceptance of, a prediction of toxicity from a quantitative structure-activity relationship (QSAR) requires assessment…”
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Measurement and Estimation of Electrophilic Reactivity for Predictive Toxicology by Schwöbel, Johannes A. H, Koleva, Yana K, Enoch, Steven J, Bajot, Fania, Hewitt, Mark, Madden, Judith C, Roberts, David W, Schultz, Terry W, Cronin, Mark T. D

“…Schwobel et all examine the measurement and estimation of electrophilic reactivity for predictive toxicology…”
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Clustering a Chemical Inventory for Safety Assessment of Fragrance Ingredients: Identifying Read-Across Analogs to Address Data Gaps by Date, Mihir S, O’Brien, Devin, Botelho, Danielle J, Schultz, Terry W, Liebler, Daniel C, Penning, Trevor M, Salvito, Daniel T

“…A valuable approach to chemical safety assessment is the use of read-across chemicals to provide safety data to support the assessment of structurally similar…”
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Integrated approach to testing and assessment for predicting rodent genotoxic carcinogenicity by Petkov, Petko I., Schultz, Terry W., Donner, E. Maria, Honma, Masamitsu, Morita, Takeshi, Hamada, Shuichi, Wakata, Akihiro, Mishima, Masayuki, Maniwa, Jiro, Todorov, Milen, Kaloyanova, Elena, Kotov, Stefan, Mekenyan, Ovanes G.

“…We investigated the performance of an integrated approach to testing and assessment (IATA), designed to cover different genotoxic mechanisms causing cancer and…”
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Equations for estimating binary mixture toxicity: 3-methyl-2-butanone with a series of electrophiles by Dawson, Douglas A, Schultz, Terry W

“…Mixture toxicity was determined for 32 binary combinations. One chemical was the non-reactive, non-polar narcotic 3-methyl-2-butanone (always chemical A) and…”
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Uncertainty in the results from oral repeated dose toxicity tests: Impact on regulatory classifications by Chapkanov, Atanas, Schultz, Terry W., Mekenyan, Ovanes G.

“…The Lowest Observed (Adverse) Effect Level (LO(A)EL) values are point-of-departure (PoD) values that quantify repeat dose toxicity (RDT). Here, the uncertainty…”
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Lessons learned from read-across case studies for repeated-dose toxicity by Schultz, Terry W., Cronin, Mark T.D.

“…A series of case studies designed to further acceptance of read-across predictions, especially for chronic health-related endpoints, have been evaluated with…”
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Estimating uncertainty in LLNA EC3 data and its impact on regulatory classifications by Chapkanov, Atanas, Schultz, Terry W., Yordanova, Darina, Kirilov, Kalin, Ivanova, Hristiana, Mekenyan, Ovanes G.

“…The murine Local Lymph Node Assay (LLNA) is a test that produces numerical results (EC3 values) quantifying the sensitization potency of chemicals. These…”
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An End Point-Specific Framework for Read-Across Analog Selection for Human Health Effects by Moustakas, Holger, Date, Mihir S., Kumar, Manoj, Schultz, Terry W., Liebler, Daniel C., Penning, Trevor M., Salvito, Daniel T., Api, Anne Marie

“…Integrating computational chemistry and toxicology can improve the read-across analog approach to fill data gaps in chemical safety assessment. In read-across,…”
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Automated read-across workflow for predicting acute oral toxicity: I. The decision scheme in the QSAR toolbox by Kutsarova, Stela, Mehmed, Aycel, Cherkezova, Daniela, Stoeva, Stoyanka, Georgiev, Marin, Petkov, Todor, Chapkanov, Atanas, Schultz, Terry W., Mekenyan, Ovanes G.

“…A decision-scheme outlining the steps for identifying the appropriate chemical category and subsequently appropriate tested source analog(s) for data gap…”
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Determination of “fitness-for-purpose” of quantitative structure-activity relationship (QSAR) models to predict (eco-)toxicological endpoints for regulatory use by Belfield, Samuel J., Enoch, Steven J., Firman, James W., Madden, Judith C., Schultz, Terry W., Cronin, Mark T.D.

“…In silico models are used to predict toxicity and molecular properties in chemical safety assessment, gaining widespread regulatory use under a number of…”
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Chemical applicability domain of the Local Lymph Node Assay (LLNA) for skin sensitisation potency. Part 3. Apparent discrepancies between LLNA and GPMT sensitisation potential: False positives or differences in sensitivity? by Roberts, David W., Schultz, Terry W., Api, Anne Marie

“…The Local Lymph Node Assay (LLNA) is the gold standard regulatory toxicology test for skin sensitisation along with the guinea pig maximisation test (GPMT)…”
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Development of a Decision Tree for Mitochondrial Dysfunction: Uncoupling of Oxidative Phosphorylation by Enoch, Steven J, Schultz, Terry W, Popova, Ioanna G, Vasilev, Krasimir G, Mekenyan, Ovanes G

“…Mitochondrial dysfunction is the result of a number of processes including the uncoupling of oxidative phosphorylation. This study outlines the development of…”
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Skin Sensitization QMM for HRIPT NOEL Data: Aldehyde Schiff-Base Domain by Roberts, David W, Schultz, Terry W, Api, Anne Marie

“…The general chemistry principles underlying skin sensitization for Schiff base (SB) electrophiles may be used to develop a quantitative mechanistic model…”
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The implementation of RAAF in the OECD QSAR Toolbox by Kuseva, Chanita, Schultz, Terry W., Yordanova, Darina, Tankova, Ksenia, Kutsarova, Stela, Pavlov, Todor, Chapkanov, Atanas, Georgiev, Marin, Gissi, Andrea, Sobanski, Tomasz, Mekenyan, Ovanes G.

“…The Read-Across Assessment Framework (RAAF) was developed by the European Chemicals Agency (ECHA) as an internal tool providing a framework for a consistent,…”
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The Adverse Outcome Pathway for Skin Sensitisation: Moving Closer to Replacing Animal Testing by Schultz, Terry W., Dimitrova, Gergana, Dimitrov, Sabcho, Mekenyan, Ovanes G.

“…This article outlines the work of the Organisation for Economic Co-operation and Development (OECD) that led to being jointly awarded the 2015 Lush Black Box…”
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Building up a QSAR model for toxicity toward Tetrahymena pyriformis by the Monte Carlo method: A case of benzene derivatives by Toropova, Alla P, Schultz, Terry W, Toropov, Andrey A

“…Graphical abstract…”
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Kinetic-Based Reactivity for Michael Acceptors: Structural Activity Relationships and Its Relationship to Excess Acute Fish Toxicity by Schultz, Terry W., Aptula, Aynur O.

“…Acute aquatic toxicity is divided into the “physical” mode governed by weak, non-covalent interactions and the “chemical” mode governed by covalent reactions…”
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A practical guidance for Cramer class determination by Roberts, David W., Aptula, Aynur, Schultz, Terry W., Shen, Jie, Api, Anne Marie, Bhatia, Sneha, Kromidas, Lambros

“…Expanded use of the Threshold of Toxicological Concern (TTC) methodology has brought into discussion the intent of the original questions used in the Cramer…”
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Mechanistic relationship between biodegradation and bioaccumulation. Practical outcomes by Dimitrov, Sabcho D., Dermen, Irina A., Dimitrova, Nadezhda H., Vasilev, Krasimir G., Schultz, Terry W., Mekenyan, Ovanes G.

“…According to the REACH Regulation, for all substances manufactured or imported in amounts of 10 or more tons per year, that are not exempted from the…”
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