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Titlebook: QSAR and Molecular Modeling Studies in Heterocyclic Drugs I; Satya Prakash Gupta Book 2006 Springer-Verlag Berlin Heidelberg 2006 HIV.QSAR

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Predicting Pharmacological and Toxicological Activity of Heterocyclic Compounds Using QSAR and Molensect repellency, and environmental toxicityfor a few classes of heterocyclics from their structure. The calculated molecular descriptorsfall into four classes: topostructural (TS), topochemical (TC), 3-dimensional or geometrical (3D),and quantum chemical (QC). The complexity and the computational t
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Conformational Aspects and Interaction Studies of Heterocyclic Drugs, compounds. Over half of all known compounds and a large number of pharmaceutical products are heterocyclic in nature. The pharmacological activity of drugs depends mainly on interaction with their biological targets, which have a complex three-dimensional structure, and molecular recognition is gui
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QSAR and Molecular Modeling Studies of HIV Protease Inhibitors, worldwide. HIV protease is one of themajor viral targets for the development of new chemotherapeutics. Currently, many HIV protease inhibitorsare used in combination with HIV reverse transcriptase inhibitors. However, the use of current drugsregimens has several shortcomings, such as adherence, tol
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,Applications of Flexible Molecular Descriptors in the QSPR–QSAR Study of Heterocyclic Drugs,nderstand the methodology employed.The first approximation of hierarchy for topological, physical, chemical, and biological featuresof the molecular structure, which is able to be the basis of the next generation of optimal descriptors,is proposed.
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