Több mint 4 millió cím angol és más nyelveken! Fedezd fel új történetedet még ma!

Chemoinformatics

Name: Chemoinformatics
Brand: Humana Press Inc.
SKU: 9781588292612
Price: 61830 HUF
Availability: InStock

Concepts, Methods, and Tools for Drug Discovery

Szerző: Jürgen Bajorath

Nyelv:

Kötés: Kemény kötésű

Kiadó: Humana Press Inc.

Elérhetőség: Beszállítói készleten alacsony példányszámban

Küldés 13-18 napon belül

61 830 Ft

Well-recognized pioneers and investigators from diverse professional environments survey the key con...

Információk a könyvről

Szerző

Jürgen Bajorath

Nyelv

Angol

Kötés

Könyv - Kemény kötésű

Kiadva

2004

oldal

524

EAN

9781588292612

ISBN

1588292614

Enbook ID

01430316

Kiadó

Humana Press Inc.

Súly

1068

Méretek

155 x 235 x 37

Teljes leírás

Well-recognized pioneers and investigators from diverse professional environments survey the key concepts in the field, describe cutting-edge methods, and provide exemplary pharmaceutical applications. The authors explain the theory behind the crucial concepts of molecular similarity and diversity, describe the challenging efforts to use chemoinformatics approaches to virtual and high-throughput screening, and illuminate the latest developments in multidimensional QSAR analysis. Other topics of interest include the use of partitioning algorithms and classification methods for analyzing large compound databases, screening sets, and virtual screening for active molecules; different approaches to target class-specific library design; and the generation of a novel class of molecular surface properties descriptors that can be readily calculated from 2D representations of molecular structures. Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery illuminates the conceptual and methodological diversity of this rapidly evolving field and offers instructive examples of cutting-edge applications in the drug discovery process.In the post-genomic era, the role informatics technologies plays in chemical and pharmaceutical research has become increasingly important in data management and lead-compound identification. In Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery, well-recognized pioneers and investigators from diverse professional environments survey the key concepts in the field, describe cutting-edge methods, and provide exemplary pharmaceutical applications. The authors explain the theory behind the crucial concepts of molecular similarity and diversity, describe the challenging efforts to use chemoinformatics approaches to virtual and high-throughput screening, and illuminate the latest developments in multidimensional QSAR analysis. Other topics of interest include the use of partitioning algorithms and classification methods for analyzing large compound databases, screening sets, and virtual screening for active molecules; different approaches to target class-specific library design; the generation of novel classes of molecular descriptors; and Web-based tools for chemical database access and management. Also presented are different methods for describing molecular chirality and conformational parameters and for predicting the drug-like character and basic ADME properties of compounds based on modeling their putative interactions with cytochrome P450 isoforms.§State-of-the-art and user-friendly, Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery illuminates the conceptual and methodological diversity of this rapidly evolving field and offers instructive examples of cutting-edge applications in the drug discovery process.