Author: Mihai V. Putz Full Title: Quantum Nanochemistry, Volume 5: Quantum Structure-Activity Relationships (Qu-SAR) Publisher: Apple Academic Press; 1 edition (March 24, 2016) Year: 2016 ISBN-13: 9781771881371 (978-1-77188-137-1) ISBN-10: 1771881372 Pages: 622 Language: English Genre: Computational and Theoretical Chemistry File type: PDF (True) Quality: 10/10 Price: £150.00 Volume 5 of the 5-volume Quantum Nanochemistry focuses on modeling and predicting of the enzyme kinetics and quantitative structure-activity relationships. It reveals the quantum implications to bio-organic and bio-inorganic systems, to enzyme kinetics, and to pharmacophore binding sites of chemical-biological interaction of molecules through cell membranes in targeting specific bindings modeled by celebrated QSARs (Quantitative Structure-Activity Relationships) here reshaped as Qu-SAR (Quantum Structure-Activity Relationships). Features: ✓ Presents in an analytical manner the chemical complex interaction with biological ecotoxicological and pharmacological environment ✓ Explicates in a two-fold manner the ligand-receptor paradigm, by the enzyme-substrate interaction, and by chemical drug-biological cell/organism couplings ✓ Adapts the quantum approach of chemical phenomena and chemical reactivity principles at the cell’s level ✓ Introduces the logistic approach for enzyme-substrate interaction ✓ Introduces the algebraic (vectorial) spectral/path models of ligand-receptor interaction ✓ Characterizes the chemical-biological interaction by orthogonal condition of chemical structure ✓ Reviews the main principles of statistics and correlation analysis in agreement with the main QSAR-OECD principles ✓ Formulates complementary pictures of modeling biological activity by various QSAR realizations and combinations: Spectral-, Spectral-SMILES-, topo-Reactivity-, Residual-, and Projective—QuSARs ✓ Formalizes the chemical-biological interaction by variational principles of the least path principle ✓ Predicts the biological activity by appropriate combination between the logistic enzyme kinetics and vectorial/algebraic/spectral-QSAR in the so called logistic-QSAR approach ------------- Our members see more. Join us!
