Chemical library design
By: edited by Joe Zhongxiang Zhou
Series: Springer protocols; Methods in molecular biology -- v. 685
Publisher: Human Press
Published: 2011
Place of publication: New York, NY
Language: eng
Number of pages: 362
ISBN-13: 9781607619307
Subjects: Pharmaceutical Preparations; Methods; Drugs; Cheminformatics; Combinatorial chemistry; Design; Chemistry; Medical Infomatics
Notes: Includes bibliographical references and index.
Table of contents: title: Historical overview of chemical library design; title: Chemoinformatics and library design; title: Molecular library design using multi-objective optimization methods; title: A scalable approach to combinatorial library design; title: Application of free-Wilson selectivity analysis for combinatorial library design; title: Application of QSAR and shape pharmacophore modeling approaches for targeted chemical library design; title: Combinatorial library design from reagent pharmacophore fingerprints; title: Docking methods for structure-based library design; title: Structure-based library design in efficient discovery of novel inhibitors; title: Structure-based and property-compliant library design of 11[beta]-HSD1 adamantyl amide inhibitors; title: Design of screening collections for successful fragment-based lead discovery; title: Fragment-based drug design; title: LEAP into the Pfizer Global Virtual Library (PGVL) space: Creation of readily synthesizable design ideas automatically; title: The design, annotation, and application of a kinase-targeted library; title: PGVL hub: An integrated desktop tool for medicinal chemists to streamline design and synthesis of chemical libraries and singleton compounds; title: Design of targeted libraries against the human Chk1 kinase using PGVLhub; title: GLARE: A tool for product-oriented design of combinatorial libraries; title: CLEVER: A general design tool for combinatorial libraries.