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Quantitative Shape-Activity Relations QShAR

Mezey PG (1999) Quantitative Shape — Activity Relations (QShAR), Molecular Shape Analysis, Charge Cloud Holography, and Computational Microscopy. In Walker JD (ed) QSARs in Environmental Toxicology — VIII. QSARs for Predicting Endocrine Disruption, Chemical Persistence and Effects. SETAC Publ (in press)... [Pg.186]

One application of the shape group method is the study of quantitative shape activity relations, QShAR, employed in drug design and in toxicology. ... [Pg.2585]

The QShAR (Quantitative Shape-Activity Relations) method, combined with the integrated main and side effect modeling of bioactive molecules, forms the conceptual basis of the approaches described in this chapter. The density scalable FSGH method for a simple representation of molecular bodies, in combination with the Shape Group Method and various other shape code approaches for quantitative shape analysis, as well as the multiple shape ranking methods for integrated main and side effect analysis, are the components of a computational implementation of the basic concepts. [Pg.185]

See other pages where Quantitative Shape-Activity Relations QShAR is mentioned: [Pg.229]    [Pg.231]    [Pg.135]    [Pg.229]    [Pg.231]    [Pg.135]    [Pg.176]   
See also in sourсe #XX -- [ Pg.175 , Pg.176 , Pg.185 ]



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