New Structural Descriptors of Molecules on the Basis of Symbiosis of the Informational Field Model and Simplex Representation of Molecular Structure
Author:
Publisher
Wiley
Subject
Organic Chemistry,Computer Science Applications,Drug Discovery
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/qsar.200860073/fullpdf
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1. Molecular Modeling and Computer Aided Drug Design. Examples of their Applications in Medicinal Chemistry
2. Hierarchic system of QSAR models (1D–4D) on the base of simplex representation of molecular structure
3. Identification of individual structural fragments of N,N′-(bis-5-nitropyrimidyl)dispirotripiperazine derivatives for cytotoxicity and antiherpetic activity allows the prediction of new highly active compounds
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