SAR Modeling: Effect of Experimental Ambiguity

Title: SAR Modeling: Effect of Experimental Ambiguity

Volume: 6 Issue: 2

Author(s): Bhavani P. Thampatty and Herbert S. Rosenkranz

Affiliation:

Keywords: structure-activity relationships, sar, error, ambiguity

Abstract: The applicability of SAR (structure-activity relationship) techniques to data obtained using high throughput screening (HTS) and toxicogenomic techniques is explored. The reason for this study derives from the fact that for economical and time considerations HTS bioassays may consist of single determinations, i.e. lack of duplication. This introduces an element of uncertainty. Using two different data bases of fairly complex biological phenomena (allergic contact dermatitis in humans and the induction of mutations in Salmonella), it is demonstrated that the resulting SAR models can tolerate up to 20% ambiguity in the experimental data.

Cite this article as:

Thampatty P. Bhavani and Rosenkranz S. Herbert, SAR Modeling: Effect of Experimental Ambiguity, Combinatorial Chemistry & High Throughput Screening 2003; 6 (2) . https://dx.doi.org/10.2174/1386207033329742

DOI https://dx.doi.org/10.2174/1386207033329742	Print ISSN 1386-2073
Publisher Name Bentham Science Publisher	Online ISSN 1875-5402