A Review of In Silico Tools as Alternatives to Animal Testing: Principles, Resources and Applications
JC Madden, SJ Enoch, A Paini… - … to Laboratory Animals, 2020 - journals.sagepub.com
Across the spectrum of industrial sectors, including pharmaceuticals, chemicals, personal
care products, food additives and their associated regulatory agencies, there is a need to …
care products, food additives and their associated regulatory agencies, there is a need to …
IVIVE: Facilitating the Use of In Vitro Toxicity Data in Risk Assessment and Decision Making
X Chang, YM Tan, DG Allen, S Bell, PC Brown… - Toxics, 2022 - mdpi.com
During the past few decades, the science of toxicology has been undergoing a
transformation from observational to predictive science. New approach methodologies …
transformation from observational to predictive science. New approach methodologies …
[HTML][HTML] A 10-step framework for use of read-across (RAX) in next generation risk assessment (NGRA) for cosmetics safety assessment
C Alexander-White, D Bury, M Cronin, M Dent… - Regulatory Toxicology …, 2022 - Elsevier
This paper presents a 10-step read-across (RAX) framework for use in cases where a
threshold of toxicological concern (TTC) approach to cosmetics safety assessment is not …
threshold of toxicological concern (TTC) approach to cosmetics safety assessment is not …
High-throughput PBTK models for in vitro to in vivo extrapolation
Introduction Toxicity data are unavailable for many thousands of chemicals in commerce
and the environment. Therefore, risk assessors need to rapidly screen these chemicals for …
and the environment. Therefore, risk assessors need to rapidly screen these chemicals for …
Artificial intelligence and machine learning for lead-to-candidate decision-making and beyond
D McNair - Annual review of pharmacology and toxicology, 2023 - annualreviews.org
The use of artificial intelligence (AI) and machine learning (ML) in pharmaceutical research
and development has to date focused on research: target identification; docking-, fragment …
and development has to date focused on research: target identification; docking-, fragment …
[HTML][HTML] A review of in silico toxicology approaches to support the safety assessment of cosmetics-related materials
MTD Cronin, SJ Enoch, JC Madden, JF Rathman… - Computational …, 2022 - Elsevier
In silico tools and resources are now used commonly in toxicology and to support the “Next
Generation Risk Assessment”(NGRA) of cosmetics ingredients or materials. This review …
Generation Risk Assessment”(NGRA) of cosmetics ingredients or materials. This review …
Guide to development of compound files for PBPK modeling in the Simcyp population‐based simulator
U Ezuruike, M Zhang, A Pansari… - CPT …, 2022 - Wiley Online Library
Abstract The Simcyp Simulator is a software platform for population physiologically‐based
pharmacokinetic (PBPK) modeling and simulation. It links in vitro data to in vivo absorption …
pharmacokinetic (PBPK) modeling and simulation. It links in vitro data to in vivo absorption …
In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR
G Pawar, JC Madden, D Ebbrell, JW Firman… - Frontiers in …, 2019 - frontiersin.org
A plethora of databases exist online that can assist in in silico chemical or drug safety
assessment. However, a systematic review and grouping of databases, based on purpose …
assessment. However, a systematic review and grouping of databases, based on purpose …
An insight of techniques for the assessment of permeation flux across the skin for optimization of topical and transdermal drug delivery systems
S Chaturvedi, A Garg - Journal of Drug Delivery Science and Technology, 2021 - Elsevier
The skin has been employed as a delivery route for localized as well as systemic delivery of
drugs. However, the Stratum corneum (SC) of the skin act as a main barrier for the …
drugs. However, the Stratum corneum (SC) of the skin act as a main barrier for the …
A systematic review of published physiologically-based kinetic models and an assessment of their chemical space coverage
CV Thompson, JW Firman… - Alternatives to …, 2021 - journals.sagepub.com
Across multiple sectors, including food, cosmetics and pharmaceutical industries, there is a
need to predict the potential effects of xenobiotics. These effects are determined by the …
need to predict the potential effects of xenobiotics. These effects are determined by the …