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1 online resource (326 pages) : illustrations.
  • INTRODUCTION TO SCAFFOLD HOPPING Identifying and representing scaffolds Markush structures and chemical patents Diversity of scaffolds from natural products Scaffold diversity in medicinal chemistry space Exploring virtual scaffold spaces TOPOLOGICAL METHODS FOR SCAFFOLD HOPPING CATS vectors Reduced graphs Feature trees (FTrees) Extended connectivity fingerprints (ECFP) Maximum common substructure determination in MedChem Studio SHAPE-BASED METHODS FOR SCAFFOLD HOPPING Radial distribution function codes Rapid overlay of chemical structures (ROCS) FEPOPS ParaFit XED Forcefields and Fieldstere Ultrafast shape recognition (USR) PHARMACOPHORE AND STRUCTURE-BASED METHODS SkelGen Molecular interaction fingerprints ReCore SHOP SCAFFOLD HOPPING CASE STUDIES JAK2 inhibitors mGluR5 inhibitors Phosphatase inhibitors.
  • (source: Nielsen Book Data)9783527665174 20180530
This first systematic treatment of the concept and practice of scaffold hopping shows the tricks of the trade and provides invaluable guidance for the reader' s own projects. The first section serves as an introduction to the topic by describing the concept of scaffolds, their discovery, diversity and representation, and their importance for finding new chemical entities. The following parts contain a general description as well as case studies of the most common tools and methods for scaffold hopping, whether topological, shape-based or structure-based. The final part contains three fully documented real-world examples of successful drug development projects by scaffold hopping that illustrate the benefits of the approach for medicinal chemistry. While most of the case studies are taken from medicinal chemistry, chemical and structural biologists will also benefit greatly from the insights presented here.
(source: Nielsen Book Data)9783527665174 20180530
1 online resource (xi, 123 pages) : illustrations (some color).
  • Introduction.- Analysis of Long Term (100 yr) Patterns of Rainfall Variability
  • Interannual and Interseasonal Variations in Monthly Rainfall
  • Intra-Seasonal Patterns of Rainfall from Daily Values
  • Analysis of Storm Events and Interstorm Dry Periods
  • Overview and Conclusions.
The northward migration of the African monsoon rains in summer, associated with the seasonal march of the Intertropical Convergence Zone (ITCZ) across the plains south of the Sahara, is the most critical asset for the livelihoods of indigenous peoples and local economies of the Sahel. It is essential that climate science (and its publicly available database) play a key role in characterizing the variabilities of these rainfall patterns in space and time if sustainable life styles are to accommodate the expanding populations of the region. This study turns to the East Sahel of Sudan by analyzing over 100 years of historical rainfall data from three of the few long term standard WMO rain gauge stations in substantially different rainfall settings. From north to south, transecting the Sahel, the stations with their annual rainfall are Khartoum (130 mm); Kassala (280 mm); and Gedaref (600 mm). The conclusions challenge a popular notion that changing climate, drought and desertification in the East Sahel may have already accelerated the deterioration of its water resources. However, any evidence of a persistent and coherent regional trend of diminishing rainfall is obscure. Quite the contrary, the evidence demonstrates that the fluctuations of climate and weather patterns over the ensuing decades of the past century - at all temporal scales from days to years to decades - profoundly overwhelm any suggestion of a large-scale, coherent decrease (or increase) in rainfall. The implication is that, it is not long term change, but the highly localized interseasonal, interannual and multiannual variability of rainfall that poses the greatest and most immediate societal threat from naturally-induced causes; a process constantly destabilizing an agrarian economy struggling to survive in a climate that irregularly vacillates between years of drought and years of flooding. While this report may have some interest for climate scientists, it is primarily directed to a general readership (including students in public policy and anthropology) concerned with the availability of water in the Sahel, particularly the long term sustainability of local small-scale farms and transhumant pastoralism.
xiii, 476 p. : ill.
xiii, 460 p. : ill. (some col.).
393 pages : illustrations
SAL3 (off-campus storage)
458 pages : illustrations
SAL3 (off-campus storage)