Kevin P Cross,David J Ponting
Kevin P Cross
The detection of N-nitrosodimethylamine (NDMA) in several marketed drugs led regulatory agencies to require that N-nitrosamine risk assessments be performed on all marketed medical products [EMA/351053/2019 rev 1 (2019)]. Regulation of N-ni...
FAIRification of nanosafety data to improve applicability of (Q)SAR approaches: A case study on in vitro Comet assay genotoxicity data [0.03%]
纳米安全性数据的公平化以提高(Q)SAR方法的应用性：一项针对体外康默特染色体畸变试验基因毒性的案例研究
Cecilia Bossa,Cristina Andreoli,Martine Bakker et al.
Cecilia Bossa et al.
(Quantitative) structure-activity relationship ([Q]SAR) methodologies are widely applied to predict the (eco)toxicological effects of chemicals, and their use is envisaged in different regulatory frameworks for filling data gaps of untested...
Evaluation of Existing QSAR Models and Structural Alerts and Development of New Ensemble Models for Genotoxicity Using a Newly Compiled Experimental Dataset [0.03%]
基于新编实验数据集对QSAR模型和结构警报的评估及致基因毒性新集成模型的发展
Prachi Pradeep,Richard Judson,David M DeMarini et al.
Prachi Pradeep et al.
Regulatory agencies world-wide face the challenge of performing risk-based prioritization of thousands of substances in commerce. In this study, a major effort was undertaken to compile a large genotoxicity dataset (54,805 records for 9299 ...
COSMOS next generation - A public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals [0.03%]
下一代COSMOS——利用化学和生物数据支持化学品监管评估的公共知识库
C Yang,M T D Cronin,K B Arvidson et al.
C Yang et al.
The COSMOS Database (DB) was originally established to provide reliable data for cosmetics-related chemicals within the COSMOS Project funded as part of the SEURAT-1 Research Initiative. The database has subsequently been maintained and dev...
Using Chemical Structure Information to Develop Predictive Models for In Vitro Toxicokinetic Parameters to Inform High-throughput Risk-assessment [0.03%]
利用化学结构信息开发体外毒性动力学参数的预测模型以支持高通量风险评估
Prachi Pradeep,Grace Patlewicz,Robert Pearce et al.
Prachi Pradeep et al.
The toxicokinetic (TK) parameters fraction of the chemical unbound to plasma proteins and metabolic clearance are critical for relating exposure and internal dose when building in vitro-based risk assessment models. However, experimental to...
Gaining acceptance in next generation PBK modelling approaches for regulatory assessments - An OECD international effort [0.03%]
下一代PBK模型在监管评估中的认可——一个国际性的OECD项目
Alicia Paini,Yu-Mei Tan,Magdalini Sachana et al.
Alicia Paini et al.
Physiologically Based Kinetic (PBK) models are valuable tools to help define safe external levels of chemicals based on internal doses at target organs in experimental animals, humans and organisms used in environmental risk assessment. As ...
Assessment of the predictive capacity of a physiologically based kinetic model using a read-across approach [0.03%]
基于读过模型的生理动力学模型预测能力的评价
Alicia Paini,Andrew Worth,Sunil Kulkarni et al.
Alicia Paini et al.
With current progress in science, there is growing interest in developing and applying Physiologically Based Kinetic (PBK) models in chemical risk assessment, as knowledge of internal exposure to chemicals is critical to understanding poten...
Evaluation of Quantitative Structure Property Relationship Algorithms for Predicting Plasma Protein Binding in Humans [0.03%]
定量结构属性关系算法预测人血浆蛋白结合的评价
Yejin Esther Yun,Rogelio Tornero-Velez,S Thomas Purucker et al.
Yejin Esther Yun et al.
The extent of plasma protein binding is an important compound-specific property that influences a compound's pharmacokinetic behavior and is a critical input parameter for predicting exposure in physiologically based pharmacokinetic (PBPK) ...
Structure-based QSAR Models to Predict Repeat Dose Toxicity Points of Departure [0.03%]
基于结构的QSAR模型预测反复剂量毒性作用点
Prachi Pradeep,Katie Paul Friedman,Richard Judson
Prachi Pradeep
Human health risk assessment for environmental chemical exposure is limited by a vast majority of chemicals with little or no experimental in vivo toxicity data. Data gap filling techniques, such as quantitative structure activity relations...
Predictive modeling of biological responses in the rat liver using in vitro Tox21 bioactivity: Benefits from high-throughput toxicokinetics [0.03%]
基于体外Tox21生物活性的老鼠肝脏生物反应预测建模：通过高通量毒性动力学受益
Caroline Ring,Nisha S Sipes,Jui-Hua Hsieh et al.
Caroline Ring et al.
Computational methods are needed to more efficiently leverage data from in vitro cell-based models to predict what occurs within whole body systems after chemical insults. This study set out to test the hypothesis that in vitro high-through...