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Author:
Publisher:
ISBN: 9789155487478
Category : Nuclear magnetic resonance
Languages : en
Pages : 61
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Book Description
Author:
Publisher:
ISBN: 9789155487478
Category : Nuclear magnetic resonance
Languages : en
Pages : 61
Get Book Here
Book Description
Author: Li Di
Publisher: Elsevier
ISBN: 0080557619
Category : Science
Languages : en
Pages : 549
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Book Description
Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. Serves as an essential working handbook aimed at scientists and students in medicinal chemistry Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies Discusses improvements in pharmacokinetics from a practical chemist's standpoint
Author: Alexandra Irina Lazar
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: Patrick Norman
Publisher: John Wiley & Sons
ISBN: 0470725621
Category : Technology & Engineering
Languages : en
Pages : 482
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Book Description
A comprehensive yet accessible exploration of quantum chemical methods for the determination of molecular properties of spectroscopic relevance Molecular properties can be probed both through experiment and simulation. This book bridges these two worlds, connecting the experimentalist's macroscopic view of responses of the electromagnetic field to the theoretician’s microscopic description of the molecular responses. Comprehensive in scope, it also offers conceptual illustrations of molecular response theory by means of time-dependent simulations of simple systems. This important resource in physical chemistry offers: A journey in electrodynamics from the molecular microscopic perspective to the conventional macroscopic viewpoint The construction of Hamiltonians that are appropriate for the quantum mechanical description of molecular properties Time- and frequency-domain perspectives of light–matter interactions and molecular responses of both electrons and nuclei An introduction to approximate state response theory that serves as an everyday tool for computational chemists A unified presentation of prominent molecular properties Principles and Practices of Molecular Properties: Theory, Modeling and Simulations is written by noted experts in the field. It is a guide for graduate students, postdoctoral researchers and professionals in academia and industry alike, providing a set of keys to the research literature.
Author: Gunter Mahler
Publisher: CRC Press
ISBN: 1000148467
Category : Technology & Engineering
Languages : en
Pages : 424
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Book Description
Integrating molecular physics and information theory, this work presents molecular electronics as a method for information storage and retrieval that incorporates nanometer-scaled systems, uses microscopic particles and exploits the laws of quantum mechanics. It furnishes application examples employing properties of distinct molecules joined together to a macroscopic ensemble of virtually identical units.
Author: Felix Weißenfeld
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Author: Sander Van Smaalen
Publisher: OUP Oxford
ISBN: 0191524786
Category : Science
Languages : en
Pages : 284
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Book Description
For many years it was believed that translational symmetry would be the fundamental property of crystal structures of natural and synthetic compounds. It is now recognised that many compounds crystallise without translational symmetry of their atomic structures. "Incommensurate Crystallography" gives a comprehensive account of the superspace theory for the description of crystal structures and symmetries of these incommensurately modulated crystals and incommensurate composite crystals. It thus provides the necessary background for quantitative analysis of incommensurate crystals by methods in Solid State Chemistry and Solid State Physics. The second half of "Incommensurate Crystallography" is devoted to crystallographic methods of structural analysis of incommensurate compounds. Thorough accounts are given of the diffraction by incommensurate crystals, the choice of parameters in structure refinements, and the use of superspace in analysing crystal structures. The presentation of methods of structure determination includes modern methods like the Maximum Entropy Method and Charge Flipping.
Author: Derek Craig Martyn
Publisher:
ISBN:
Category : Amino acids
Languages : en
Pages : 504
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Book Description
Author: Ananth Dodabalapur
Publisher:
ISBN:
Category : Molecular beam epitaxy
Languages : en
Pages : 254
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Book Description
Author: Joseph Anthony Duimstra
Publisher:
ISBN:
Category : Electronic dissertations
Languages : en
Pages : 292
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Book Description
