Results 231 to 240 of about 303,819 (286)

Using Local Models to Improve (Q)SAR Predictivity

Molecular Informatics, 2011
AbstractWe present a novel (Q)SAR approach that detects groups of structures for local (Q)SAR modeling. The algorithm combines clustering and classification or regression for making predictions on chemical structure data. A clustering procedure producing clusters with shared structural scaffolds is applied as a preprocessing step, before a (local ...
Fabian, Buchwald, Tobias, Girschick, Madeleine, Seeland, Stefan, Kramer   +3 more
openaire   +2 more sources

Validity and validation of expert (Q)SAR systems

SAR and QSAR in Environmental Research, 2005
At a recent workshop in Setubal (Portugal) principles were drafted to assess the suitability of (quantitative) structure-activity relationships ((Q)SARs) for assessing the hazards and risks of chemicals. In the present study we applied some of the Setubal principles to test the validity of three (Q)SAR expert systems and validate the results.
Hulzebos, E, Sijm, Drivm, Traas, Trivm, Posthumus, R, Maslankiewicz, L   +4 more
openaire   +3 more sources

Matrix metalloproteinases (MMPs): Chemical–biological functions and (Q)SARs

Bioorganic & Medicinal Chemistry, 2007
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Rajeshwar P, Verma, Corwin, Hansch
openaire   +2 more sources

(Q)SARS: gatekeepers against risk on chemicals?

SAR and QSAR in Environmental Research, 2003
ECOSAR and DEREKfW predictions for the (eco)toxicological effects of circa 70 substances were compared with experimental data for risk assessment purposes. These and other (quantitative) structure-activity relationships ((Q)SARs) programs will play an important role in future chemical policies, such as in the European Union and The Netherlands, to ...
Hulzebos, EM, Posthumus, R
openaire   +3 more sources

(Q)SAR Modeling and Safety Assessment in Regulatory Review

Clinical Pharmacology & Therapeutics, 2012
The ability to predict clinical safety based on chemical structures is becoming an increasingly important part of regulatory decision making. (Quantitative) structure-activity relationship ((Q)SAR) models are currently used to evaluate late-arising safety concerns and possible nonclinical effects of a drug and its related compounds when adequate safety
N L, Kruhlak, R D, Benz, H, Zhou, T J, Colatsky   +3 more
openaire   +2 more sources

(Q)SARs as Adaptations to REACH Information Requirements

2018
REACH is a regulation of the European Union adopted to improve the safe use of chemicals with regard to human health and the environment. The safe use of chemicals can be achieved only if the hazard and the exposure of the substances are well characterized. Testing on animals has been traditionally the main tool for hazard assessment.
Toni, Alasuvanto, Andrea, Gissi, Tomasz, Sobanski, Panagiotis, Karamertzanis, Mike, Rasenberg   +4 more
openaire   +2 more sources

Global (Q)SARs for skin sensitisation–assessment against OECD principles‖

SAR and QSAR in Environmental Research, 2007
As part of a European Chemicals Bureau contract relating to the evaluation of (Q)SARs for toxicological endpoints of regulatory importance, we have reviewed and analysed (Q)SARs for skin sensitisation. Here we consider some recently published global (Q)SAR approaches against the OECD principles and present re-analysis of the data. Our analyses indicate
Roberts, DW, Aptula, AO, Cronin, MTD, Hulzebos, E, Patlewicz, G   +4 more
openaire   +3 more sources

(Q)SAR Models for Genotoxicity Assessment

2009
Assessment of genotoxicity of chemicals is one of the utmost priorities of a regulatory agency since it is indicative of its potential carcinogenic properties. A major challenge to the regulatory agencies today is how to assess the genotoxicity of the large proportion of existing and new substances that have otherwise very little or no information on ...
Sunil A. Kulkarni, Jiping Zhu
openaire   +1 more source

Comparative PBT screening using (Q)SAR tools within REACH legislation

SAR and QSAR in Environmental Research, 2009
Small to medium sized enterprises (SMEs) in the EU are facing challenges due to the introduction of new legislation designed to protect consumers and the environment, REACH (Registration, Evaluation, Authorisation and Restriction of CHemicals). There can be high costs associated with implementing REACH because data on mammalian toxicity, environmental ...
Zachary, M., Greenway, G. M.
openaire   +3 more sources

Regulatory use of (Q)SARs in toxicological hazard assessment strategies

SAR and QSAR in Environmental Research, 2004
In 2001, the European Commission published a policy statement ("White Paper") on future chemicals regulation and risk reduction that proposed the use of non-animal test systems and tailor-made testing approaches, including (Q)SARs, to reduce financial costs and the number of test animals employed.
I, Gerner, H, Spielmann, T, Hoefer, M, Liebsch, M, Herzler   +4 more
openaire   +2 more sources