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Literature DB >> 18007501

Giving molecules an identity. On the interplay between QSARs and partial order ranking.

Abstract

The interplay between 'noise-deficient' QSAR and Partial Order Ranking, including analysis of average linear ranks, constitutes an effective tool in giving substances which have not been investigated experimentally an identity by comparison with experimentally well-characterized, structurally similar compounds. It is disclosed that experimentally well-characterized compounds may serve as substitutes for highly toxic compounds in experimental studies without exhibiting the same extreme toxicity, while from an overall viewpoint they exhibit analogous environmental characteristics.

Entities: Disease

Mesh：

Substances：

Year: 2004 PMID： 18007501 PMCID： PMC6147389 DOI： 10.3390/91201010

Source DB: PubMed Journal: Molecules ISSN： 1420-3049 Impact factor: 4.411

8 in total

1. Partial order ranking-based QSAr's: estimation of solubilities and octanol-water partitioning.

Authors: L Carlsen; P B Sørensen; M Thomsen
Journal: Chemosphere Date: 2001-04 Impact factor: 7.086

2. The use of Hasse diagrams as a potential approach for inverse QSAR.

Authors: R Brüggemann; S Pudenz; L Carlsen; P B Sørensen; M Thomsen; R K Mishra
Journal: SAR QSAR Environ Res Date: 2001-02 Impact factor: 3.000

3. Applying the concept of partially ordered sets on the ranking of near-shore sediments by a battery of tests.

Authors: R Brüggemann; E Halfon; G Welzl; K Voigt; C E Steinberg
Journal: J Chem Inf Comput Sci Date: 2001 Jul-Aug

4. A comparison of partial order technique with three methods of multi-criteria analysis for ranking of chemical substances.

Authors: Dorte Lerche; Rainer Brüggemann; Peter Sørensen; Lars Carlsen; Ole John Nielsen
Journal: J Chem Inf Comput Sci Date: 2002 Sep-Oct

5. Global government applications of analogues, SARs and QSARs to predict aquatic toxicity, chemical or physical properties, environmental fate parameters and health effects of organic chemicals.

Authors: J D Walker; L Carlsen; E Hulzebos; B Simon-Hettich
Journal: SAR QSAR Environ Res Date: 2002-10 Impact factor: 3.000

1 in total

Review 1. The interplay between QSAR/QSPR studies and partial order ranking and formal concept analyses.

Authors: Lars Carlsen
Journal: Int J Mol Sci Date: 2009-04-17 Impact factor: 6.208