D-optimal Approximate Design for Binary Regression and Quantal Response in Toxicology Studies [PDF]
arXiv, 2022 We provide a systematic treatment of $D$-optimal design for binary regression and quantal response models in toxicology studies. For the two-parameter case, we provide an analytical equation (WC equation) for computing the $D$-optimal design quickly and when analytical solution is not available, we apply particle swarm optimization to solve for the $D$-
arxiv
Note on PI and Szeged indices [PDF]
Mathematical and Computer Modelling 52 (2010) 1570-1576, 2011 In theoretical chemistry molecular structure descriptors are used for modeling physico-chemical, pharmacological, toxicologic, biological and other properties of chemical compounds. In this paper we study distance-based graph invariants and present some improved and corrected sharp inequalities for PI, vertex PI, Szeged and edge Szeged topological ...
arxiv +1 more source
Has Toxicity Testing Moved into the 21st Century? A Survey and Analysis of Perceptions in the Field of Toxicology. [PDF]
, 2017 BackgroundTen years ago, leaders in the field of toxicology called for a transformation of the discipline and a shift from primarily relying on traditional animal testing to incorporating advances in biotechnology and predictive methodologies into ...
Allard, Patrick +6 more
core +2 more sources
Statistical inference under order restrictions on both rows and columns of a matrix, with an application in toxicology [PDF]
IMS Collections 2008, Vol. 1, 62-77, 2008 We present a general methodology for performing statistical inference on the components of a real-valued matrix parameter for which rows and columns are subject to order restrictions. The proposed estimation procedure is based on an iterative algorithm developed by Dykstra and Robertson (1982) for simple order restriction on rows and columns of a ...
arxiv +1 more source
Co-exposure of the organic nanomaterial fullerene C60 with benzo[a]pyrene in Danio rerio (zebrafish) hepatocytes: Evidence of toxicological interactions [PDF]
, 2013 Compounds from the nanotechnology industry, such as carbon-based nanomaterials, are strong candidates to contaminate aquatic environments because their production and disposal have exponentially grown in a few years.
Costa, Patrícia G. +9 more
core +1 more source
Casting a wide net: use of diverse model organisms to advance toxicology [PDF]
, 2020 © The Author(s), 2020. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Hahn, M. E., & Sadler, K. C. Casting a wide net: use of diverse model organisms to advance toxicology.
Hahn, Mark E., Sadler, Kirsten C.
core +1 more source
Paradigm study on risk assessment methodology of oligomers in food contact materials
Zhongguo shipin weisheng zazhi, 2023 Risk assessment of non-intentionally added substances， including oligomers， in food contact materials is of great importance for ensuring food safety. Research articles and risk assessment reports at home and abroad were collected to analyze the sources ...
ZHOU Shiqi +4 more
doaj +1 more source
The R package predint: Prediction intervals for overdispersed binomial and Poisson data or based on linear random effects models in R [PDF]
arXiv, 2022 A prediction interval is a statistical interval that should encompass one (or more) future observation(s) with a given coverage probability and is usually computed based on historical control data. The application of prediction intervals is discussed in many fields of research, such as toxicology, pre-clinical statistics, engineering, assay validation ...
arxiv
Consideration of predicted small-molecule metabolites in computational toxicology [PDF]
, 2022 Xenobiotic metabolism has evolved as a key protective system of organisms against potentially harmful chemicals or compounds typically not present in a particular organism.
Garcia de Lomana, Marina +4 more
core
Frontiers in Pharmacology, 2020 Drug-induced liver injury (DILI) is one of the major reasons for termination of drug development. Due to the importance of predicting DILI in early phases of drug development, diverse in silico models have been developed to filter out DILI-causing ...
Hyun Kil Shin +7 more
doaj +1 more source