Molecules 2004, 9(12), 1010-1018; doi:10.3390/91201010
Article

Giving Molecules an Identity. On the Interplay Between QSARs and Partial Order Ranking

Awareness Center, Hyldeholm 4, Veddelev, DK-4000 Roskilde, Denmark
Received: 2 June 2004; Accepted: 30 June 2004 / Published: 31 December 2004
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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.
Keywords: ‘Noise-deficient QSARs; Partial Order Ranking; Hasse Diagrams; Organo- phosphates; Nerve agents.

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MDPI and ACS Style

Carlsen, L. Giving Molecules an Identity. On the Interplay Between QSARs and Partial Order Ranking. Molecules 2004, 9, 1010-1018.

AMA Style

Carlsen L. Giving Molecules an Identity. On the Interplay Between QSARs and Partial Order Ranking. Molecules. 2004; 9(12):1010-1018.

Chicago/Turabian Style

Carlsen, Lars. 2004. "Giving Molecules an Identity. On the Interplay Between QSARs and Partial Order Ranking." Molecules 9, no. 12: 1010-1018.

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