History of EPI Suite™ and future perspectives on chemical property estimation in US Toxic Substances Control Act new chemical risk assessments

ML Card, V Gomez-Alvarez, WH Lee… - … Science: Processes & …, 2017 - pubs.rsc.org
Chemical property estimation is a key component in many industrial, academic, and
regulatory activities, including in the risk assessment associated with the approximately …

SAR—the US regulatory perspective

CM Auer, M Zeeman, JV Nabholz… - SAR and QSAR in …, 1994 - Taylor & Francis
Abstract Structure-Activity Relationships (SAR) have been used for over a decade by the US
EPA's Office of Pollution Prevention and Toxics (OPPT) in their new chemicals program. The …

Quantitative structure‐activity relationships for predicting potential ecological hazard of organic chemicals for use in regulatory risk assessments

MHI Comber, JD Walker, C Watts… - … and Chemistry: An …, 2003 - Wiley Online Library
The use of quantitative structure‐activity relationships (QSARs) for deriving the predicted no‐
effect concentration of discrete organic chemicals for the purposes of conducting a …

Applications of QSARs in toxicology: a US Government perspective

JD Walker - Journal of Molecular Structure: THEOCHEM, 2003 - Elsevier
As the regulatory incentives to provide data on commercial chemicals increases, there will
be greater opportunities to apply Quantitative Structure Activity Relationships (QSARs) and …

Retrieval, selection, and evaluation of chemical property data for assessments of chemical emissions, fate, hazard, exposure, and risks

L Li, Z Zhang, Y Men, S Baskaran, A Sangion… - ACS …, 2022 - ACS Publications
Reliable chemical property data are the key to defensible and unbiased assessments of
chemical emissions, fate, hazard, exposure, and risks. However, the retrieval, evaluation …

The new chemicals process at the Environmental Protection Agency (EPA): structure-activity relationships for hazard identification and risk assessment

PM Wagner, JV Nabholz, RJ Kent - Toxicology letters, 1995 - Elsevier
Section 5 of the Toxic Substances Control Act (TSCA) does not require any toxicity testing as
a prerequisite for submission of a Premanufacturing Notice (PMN) for a new chemical. In …

An overview of the use of quantitative structure‐activity relationships for ranking and prioritizing large chemical inventories for environmental risk assessments

CL Russom, RL Breton, JD Walker… - … and Chemistry: An …, 2003 - Wiley Online Library
Ecological risk assessments for chemical stressors are used to establish linkages between
likely exposure concentrations and adverse effects to ecological receptors. At times, it is …

[HTML][HTML] Progress and perspectives of quantitative structure-activity relationships used for ecological risk assessment of toxic organic compounds

JW Chen, X Li, H Yu, YN Wang, XL Qiao - Science in China Series B …, 2008 - Springer
Abstract Structure-activity relationship (SAR) and quantitative structure-activity relationship
(QSAR), collectively referred to as (Q) SARs, play an important role in ecological risk …

Mode of action and the assessment of chemical hazards in the presence of limited data: use of structure-activity relationships (SAR) under TSCA, Section 5.

CM Auer, JV Nabholz, KP Baetcke - Environmental Health …, 1990 - ehp.niehs.nih.gov
Section 5 of the Toxic Substances Control Act (TSCA) requires that manufacturers and
importers of new chemicals must submit a Premanufacture Notification (PMN) to the US …

Structure‐activity relationship approaches and applications

W Tong, WJ Welsh, L Shi, H Fang… - … and Chemistry: An …, 2003 - Wiley Online Library
New techniques and software have enabled ubiquitous use of structure‐activity
relationships (SARs) in the pharmaceutical industry and toxicological sciences. We review …