QSAR AND SPECTRAL SAR IN COMPUTATIONAL ECOTOXICOLOGY

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Qsar And Spectral Sar In Computational Ecotoxicology

Author : Mihai V. Putz
ISBN : 9781926895130
Genre : Science
File Size : 23.78 MB
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QSAR and SPECTRAL-SAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk data-information-knowledge of the chemicals used in green chemistry. It assesses a specific model of pattern characterization of concerned active substances at the bio-, eco-, and pharmacologic levels through unitary formulation of the effector-receptor binding degree potential, including the logistic type by employing a computational algebraic quantitative structure-activity relationship (QSAR) model called SPECTRAL-SAR. It aims to minimize the residual recorded activities in the experiments that study the enzymic, ionic liquid, antagonists, and allosteric inhibition interactions. The book covers: The classic QSAR approach The new SPECTRAL-SAR approach How to draw SPECTRAL-SAR maps for predicting ecotoxicological mechanisms for a given series of toxicants and single or multi-species in an open system Biological activity as related to chemical reactivity through associate descriptors This book will be very useful in advanced courses on computational ecotoxicology, drug design and interaction, methods in quantum and computational chemistry, chemical molding, chemical bonding, and others.
Category: Science

Quantum Nanochemistry Volume Five

Author : Mihai V. Putz
ISBN : 9781498729574
Genre : Medical
File Size : 35.33 MB
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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).
Category: Medical

Exotic Properties Of Carbon Nanomatter

Author : Mihai V. Putz
ISBN : 9789401795678
Genre : Science
File Size : 53.27 MB
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This title reports the state-of-the-art advancements in modeling and characterization of fundamental and the recently designed carbon based nanocomposites (graphenes, fullerenes, polymers, crystals and allotropic forms). Written by leading experts in the field, the book explores the quantification, indexing, and interpretation of physical and chemical exotic properties related with space-time structure-evolution, phase transitions, chemical reactivity, and topology. Exotic Properties of Carbon Nanomatter is aimed at researchers in academia and industry.
Category: Science

Advances In Mathematical Chemistry And Applications

Author : Subhash C. Basak
ISBN : 9781681080529
Genre : Science
File Size : 79.43 MB
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Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 2 explores deeper the topics introduced in Volume 1, with numerous additional topics such as topological approaches for classifying fullerene isomers; chemical reaction networks; discrimination of small molecules using topological molecular descriptors; GRANCH methods for the mathematical characterization of DNA, RNA and protein sequences; linear regression methods and Bayesian techniques; in silico toxicity prediction methods; drug design; integration of bioinformatics and systems biology, molecular docking, and molecular dynamics; metalloenzyme models; protein folding models; molecular periodicity; generalized topologies and their applications; and many more. Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology
Category: Science

Cubic Strategic Management In Contemporary Business

Author : Mihai V. Putz
ISBN : 1522552588
Genre : Business planning
File Size : 87.66 MB
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Economic and business growth is driven by the continuous re-evaluation and optimization of current policies and practices. By implementing more effective managerial methods and strategies, businesses can increase their levels of competitiveness. Cubic Strategic Management in Contemporary Business is a critical scholarly resource that examines the implementation of geometrization methods in strategic management ideology in support of a holistic equilibrium within an organization. Featuring coverage on a broad range of topics, such as competitive advantage, networking logic, and risk management, this book is geared towards academicians, professionals, and students seeking current research on strategic management.
Category: Business planning

Wertsch Pfungsprozesse Die Kundenorientierte Optimierung Von Unternehmensaktivit Ten

Author : Stefan Ehrhardt
ISBN : 9783954850617
Genre : Business & Economics
File Size : 28.47 MB
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Dieses Buch stellt in einem ersten Schritt betriebliche Abläufe des Unternehmens transparent dar, um daraufhin Verbesserungsmaßnahmen aufzuzeigen und somit zu veranschaulichen wie Prozesse optimiert werden können. Die schwache wirtschaftliche Konjunktur, die stetig wachsende Globalisierung der Märkte, die kürzeren Innovationszyklen, der zunehmende Konkurrenzdruck und die nicht erfüllten Gewinnerwartungen erfordern eine grundlegende Überarbeitung von den ursprünglichen Unternehmensstrukturen, um ineffiziente betriebliche Abläufe zu eliminieren. Dabei ist es besonders wichtig, die Prozesse auf ihre wertschöpfenden Aktivitäten zurückzuführen d.h. auf die Produktion und den Vertrieb, um die Kosten zu senken. Ausschließlich auf diese Weise kann ein Unternehmen am Markt wettbewerbsfähig bleiben. Tradierte funktionale Aufbauorganisationen müssen deshalb durch prozessorientierte Unternehmensorganisationen ersetzt werden, um zeitliche Leerstellen zu verhindern und die Kommunikation innerhalb des Unternehmens zu verbessern. Eine optimierte Ablauforganisation kann einen wirtschaftlichen Vorsprung von zehn Jahren gegenüber anderen Unternehmen erarbeiten.
Category: Business & Economics

Chemische Kotoxikologie

Author : Harun Parlar
ISBN : 9783642973123
Genre : Technology & Engineering
File Size : 89.6 MB
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Chemische Substanzen in der Umwelt sind vielfältigen chemischen Reaktionen und Transportvorgängen unterworfen. Sie wirken auf Pflanze, Tier und Mensch ein, und sie beeinflussen einzelne Organismen oder komplexe Ökosysteme. Die Ökotoxikologie erfaßt, beschreibt und bewertet diese Vorgänge. H. Parlar gibt in seinem aus Vorlesungen entwickelten Lehrbuch der Chemischen Ökotoxikologie einen Überblick über Konzepte und Strategien zur Beurteilung der Umweltrelevanz von Chemikalien. Der Autor betont die Ökosystemforschung und den interdisziplinären Charakter des Gebietes.
Category: Technology & Engineering