High-Throughput Screening in Drug Discovery (Methods and Principles in Medicinal Chemistry)

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.]