摘要:

The availability of validated and characterized SAR models of toxicological phenomena provides a method to apply SAR technology to a variety of environmental, public health and industrial situations. These include (i) the prioritization of environmental pollutants for control and or regulation, (ii) the design of multi-action optimized therapeutics from which the potential for unwanted side-effects have been engineered out, (iii) the development of SAR-based computer-driven screening procedure to identify candidate therapeutics based upon combinatorial chemistry or compilations of molecular structures, (iv) the generation of toxicological profiles to be used in the selection of benign chemicals in the early stages of product development.

ISSN:1062-936X    

DOI:10.1080/10629369908039180

出版商:Taylor & Francis Group    

年代:1999

数据来源: Taylor

摘要:

The adoption of SAR techniques for risk assessment purposes requires that the predictive performance of models be characterized and optimized. The development of such methods with respect to CASE/MULTICASE are described. Moreover the effects of size, informational content, ratio of actives/inactives in the model on predictivity must be determined.

ISSN:1062-936X    

DOI:10.1080/10629369908039181

出版商:Taylor & Francis Group    

年代:1999

数据来源: Taylor

摘要:

It has long been recognised that the ability to predict the metabolic fate of a chemical substance and the potential toxicity of either the parent compound or its metabolites are important in novel drug design. The popularity of using computer models as an aid in this area has grown considerably in recent years.

ISSN:1062-936X    

DOI:10.1080/10629369908039182

出版商:Taylor & Francis Group    

年代:1999

数据来源: Taylor

ISSN:1062-936X    

DOI:10.1080/10629369908039169

出版商:Taylor & Francis Group    

年代:1999

数据来源: Taylor