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Structure-Activity Relationships on the Molecular Descriptors Family Project at the End

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Author(s): Lorentz JÄNTSCHI | Sorana D. BOLBOACĂ

Journal: Leonardo Electronic Journal of Practices and Technologies
ISSN 1583-1078

Volume: 6;
Issue: 11;
Start page: 163;
Date: 2007;
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Keywords: Structure-Activity Relationship (SAR) | Molecular Descriptors Family (MDF) | Model Assessment

ABSTRACT
Molecular Descriptors Family (MDF) on the Structure-Activity Relationships (SAR), a promising approach in investigation and quantification of the link between 2D and 3D structural information and the activity, and its potential in the analysis of the biological active compounds is summarized. The approach, attempts to correlate molecular descriptors family generated and calculated on a set of biological active compounds with their observed activity. The estimation as well as prediction abilities of the approach are presented. The obtained MDF SAR models can be used to predict the biological activity of unknown substrates in a series of compounds.
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