Simplex representation of molecular structure

Quantitative Structure-Property Relationship Analysis of Drugs Pharmacokinetics Within the Framework of Biopharmaceutics Classification System Using Simplex Representation of Molecular Structure... [Pg.461]

QSAR Analysis Using Simplex Representation of Molecular Structure... [Pg.470]

Kuz min VE, Artemenko AG, Polischuk PG et al (2005) Hierarchic system of QSAR models (ID D) on the base of simplex representation of molecular structure. JMol Model 11 457-467 Kuz min VE, Artemenko AG, Lozitsky VP et al (2002) The analysis of structure-anticancer and antiviral activity relationships for macrocyclic pyridinophanes and their analogues on the basis of 4D QSAR models (simplex representation of molecular structure). Acta Biochim Pol 49 157-168... [Pg.498]

Carhart RE, Smith DH, Venkataraghavan R (1985) Atom pairs as molecular features in structure-activity studies. Definition and application. J Chem Inf Comput Sci 25 64-73 Kuz min VE, Artemenko AG, Muratov EN (2008) Hierarchical QSAR technology on the base of Simplex representation of molecular structure. J Comput Aided Mol Des 22 403 21 Lindenberg M, Kopp S, Dressman JB (2004) Classification of orally administered drugs on the World Health Organization Model list of essential medicines according to the biopharmaceutics classification system. Eur J Pharm Biopharm 58 265-278... [Pg.498]

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