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Molecular interaction fields : applications in drug discovery and ADME prediction

Author: Gabriele Cruciani
Publisher: Weinheim : Wiley-VCH ; Chichester : John Wiley [distributor], ©2006.
Series: Methods and principles in medicinal chemistry, v. 27.
Edition/Format:   Print book : CD for computer : Document   Computer File : EnglishView all editions and formats
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Material Type: Document, Internet resource
Document Type: Book, Computer File, Internet Resource
All Authors / Contributors: Gabriele Cruciani
ISBN: 9783527310876 3527310878 3527318070 9783527318070
OCLC Number: 65195190
Description: xviii, 307 pages : illustrations + 1 CD-ROM (4 3/4 in.).
Details: System requirements: IRIX 6.5.9 or newer.; System requirements: Linux 3 or newer.; System requirements: Windows 2000 or newer.
Contents: The basic principles of GRID / Peter Goodford --
Calculation and application of molecular interaction fields / Rebecca C. Wade --
Protein selectivity studies using GRID-MIFs / Thomas Fox --
FLAP: 4-point pharmacophore fingerprints from GRID / Francesca Perrucio [and others] --
The complexity of molecular interaction: molecular shape fingerprints by the PathFinder approach / Iain McLay [and others] --
Alignment-independent descriptors from molecular interaction fields / Manuel Pastor --
3D-QSAR using the GRID/GOLPE approach / Wolfgang Sippl --
Use of MIF-based VolSurf descriptors in physicochemical and pharmacokinetic studies / Raimund Mannhold [and others] --
Molecular interaction fields in ADME and safety / Giovanni Cianchetta [and others] --
Progress in ADME prediction using GRID-molecular interaction fields / Ismael Zamora [and others] --
Rapid ADME filters for lead discovery / Tudor I. Oprea [and others] --
GRID-derived molecular interaction fields for predicting the site of metabolism in human cytochromes / Gabriele Cruciani [and others].
Series Title: Methods and principles in medicinal chemistry, v. 27.
Responsibility: edited by Gabriele Cruciani.
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