[PDF] High-Throughput Screening in Drug Discovery (Methods and Principles in Medicinal Chemistry) J?rg H?ser (Editor), Raimund Mannhold, Hugo Kubinyi, Gerd Folkers (Series Editors)

Content: 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 … [et al.] — The complexity of molecular interaction: molecular shape fingerprints by the PathFinder approach / Iain McLay … [et al.] — 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 … [et al.] — Molecular interaction fields in ADME and safety / Giovanni Cianchetta … [et al.] — Progress in ADME prediction using GRID-molecular interaction fields / Ismael Zamora … [et al.] — Rapid ADME filters for lead discovery / Tudor I. Oprea … [et al.] — GRID-derived molecular interaction fields for predicting the site of metabolism in human cytochromes / Gabriele Cruciani … [et al.]