By Pablo R. Duchowicz, Eduardo A. Castro (auth.), Satya Prakash Gupta (eds.)
P.R. Duchowicz, E.A. Castro, A.A. Toropov, E. Benfenati: purposes of versatile Molecular Descriptors within the QSPR-QSAR learn of Heterocyclic Drugs.-
S.C. Basak, D. generators, B.D. Gute, R. Natarajan: Predicting Pharmacological and Toxicological job of Heterocyclic Compounds utilizing QSAR and Molecular Modeling.-
M.N. Ponnuswamy, M.M. Gromiha, S.M. Malathy Sony, ok. Saraboji: Conformational features and interplay reviews of Heterocyclic Drugs.-
S. Khanna, R. Bahal, P.V. Bharatam: In silico reviews on PPARg Agonistic Heterocyclic Systems.-
R. Garg, B. Bhhatarai: QSAR and Molecular Modeling reviews of HIV Protease Inhibitors
Read Online or Download QSAR and Molecular Modeling Studies in Heterocyclic Drugs I PDF
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Additional info for QSAR and Molecular Modeling Studies in Heterocyclic Drugs I
Example text
41 2 Why QSAR and Molecular Modeling? . . . . . . . . . . 41 3 Structural Hierarchy: The Flux of Form . . . . . . . . . . 44 4 Hierarchical Structure–Activity Relationship (HiQSAR) . . . . . . 2 Materials and Methods . . . . . . . . . . Calculation of Descriptors . . . . . . . . . Statistical Methods . . . . . . . . . . . QSAR Models . . . . . . . . . . . . Receptor Binding Affinity of Dibenzofurans . . . . Mutagenicity of Aromatic and Heteroaromatic Amines .
75 References . . . . . . . . . . . . . . . . . . . . 77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . C. Basak et al. Abstract Heterocyclic compounds are important as drugs, toxicants, and agrochemicals. In this review, we report the QSAR modeling of pharmacological activity, insect repellency, and environmental toxicity for a few classes of heterocyclics from their structure.
75 References . . . . . . . . . . . . . . . . . . . . 77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . C. Basak et al. Abstract Heterocyclic compounds are important as drugs, toxicants, and agrochemicals. In this review, we report the QSAR modeling of pharmacological activity, insect repellency, and environmental toxicity for a few classes of heterocyclics from their structure.