430 results on '"Cronin, Mark T. D."'
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2. Analysis of health concerns not addressed by REACH for low tonnage chemicals and opportunities for new approach methodology
3. G × E interactions as a basis for toxicological uncertainty
4. eTRANSAFE: data science to empower translational safety assessment
5. A framework for chemical safety assessment incorporating new approach methodologies within REACH
6. The use of Bayesian methodology in the development and validation of a tiered assessment approach towards prediction of rat acute oral toxicity
7. Utilizing Omics Data for Chemical Grouping.
8. Molecular similarity in chemical informatics and predictive toxicity modeling: from quantitative read-across (q-RA) to quantitative read-across structure–activity relationship (q-RASAR) with the application of machine learning.
9. Quantitative adverse outcome pathway (qAOP) models for toxicity prediction
10. Development of Baseline Quantitative Structure-Activity Relationships (QSARs) for the Effects of Active Pharmaceutical Ingredients (APIs) to Aquatic Species
11. Role of Toxicological Big Data to Support Read-across for the Assessment of Chemicals
12. Development and analysis of an adverse outcome pathway network for human neurotoxicity
13. Construction of an In Silico Structural Profiling Tool Facilitating Mechanistically Grounded Classification of Aquatic Toxicants
14. In Silico Prediction of Organ Level Toxicity: Linking Chemistry to Adverse Effects
15. Quantitative structure-activity relationships of comparative toxicity to aquatic organisms
16. Chelators in Iron and Copper Toxicity
17. Prediction of Harmful Human Health Effects of Chemicals from Structure
18. Quantitative Structure–Activity Relationships (QSARs) – Applications and Methodology
19. A Study on Feature Selection for Toxicity Prediction
20. Using kNN Model for Automatic Feature Selection
21. Computer-aided prediction of drug toxicity and metabolism
22. Investigation of Critical Body Residues and Modes of Toxic Action Based on Injection and Aquatic Exposure in Fish
23. Prediction of the Neurotoxic Potential of Chemicals Based on Modelling of Molecular Initiating Events Upstream of the Adverse Outcome Pathways of (Developmental) Neurotoxicity
24. Threshold of Toxicological Concern—An Update for Non-Genotoxic Carcinogens
25. Statement on advancing the assessment of chemical mixtures and their risks for human health and the environment
26. Internationalization of read-across as a validated new approach method (NAM) for regulatory toxicology
27. Development of an Enhanced Mechanistically Driven Mode of Action Classification Scheme for Adverse Effects on Environmental Species
28. A Robust, Mechanistically Based In Silico Structural Profiler for Hepatic Cholestasis
29. Exploring the Potential of ToxCast Data in Supporting Read-Across for Evaluation of Food Chemical Safety
30. Chapter 2. In Silico Tools for Toxicity Prediction
31. Quantitative Structure–Activity Relationships (QSARs) – Applications and Methodology
32. Prediction of Harmful Human Health Effects of Chemicals from Structure
33. QSPR Prediction of Henry’s Law Constant: Improved Correlation with New Parameters
34. A Study on Feature Selection for Toxicity Prediction
35. Using kNN Model for Automatic Feature Selection
36. Optimizing drug discovery by Investigative Toxicology: Current and future trends
37. Optimizing drug discovery by Investigative Toxicology: Current and future trends
38. Statement on advancing the assessment of chemical mixtures and their risks for human health and the environment
39. In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR
40. Chemoinformatic Consideration of Novel Psychoactive Substances: Compilation and Preliminary Analysis of a Categorised Dataset
41. QSARs of fathead minnow and Microtox toxicity data using canonical correlation analysis
42. The value of the local lymph node assay in the development of QSARs for skin sensitization potential
43. A critical review of adverse effects to the kidney: mechanisms, data sources, andin silicotools to assist prediction
44. A Robust, Mechanistically Based In Silico Structural Profiler for Hepatic Cholestasis.
45. Interpretation of QSAR Models: Mining Structural Patterns Taking into Account Molecular Context
46. Assessment and Reproducibility of Quantitative Structure–Activity Relationship Models by the Nonexpert
47. Exploring the Potential of ToxCast Data in Supporting Read-Across for Evaluation of Food Chemical Safety
48. A Robust, Mechanistically Based In SilicoStructural Profiler for Hepatic Cholestasis
49. Legacy data sharing to improve drug safety assessment: the eTOX project
50. Validation of a Fragment-Based Profiler for Thiol Reactivity for the Prediction of Toxicity: Skin Sensitization and Tetrahymena pyriformis
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