Characterizing structural diversity

Similar structural diversity characterizes the heavier halide complexes of the group. The... 

Calculated molecular descriptors including H-bond parameters were used for QSAR studies on different types of permeabiUty. For example, the new H-bond descriptor characterizing the total H-bond ability of a compound, was successfully appUed to model Caco-2 cell permeability of 17 drugs [30]. A similar study on human jejunal in vivo permeabiUty of 22 structurally diverse compounds is described in Ref. [62]. An exceUent one-parameter correlation of human red ceU basal permeabiUty (BP) was obtained using the H-bond donor strength [63] ... 

Lipophilicity correlations with ADMET properties are often promising when marketed or well-characterized compounds are utihzed in the training set Even when structurally diverse sets of marketed dmgs are chosen, the common denomi-... 

The distribution of Tanimoto indices for randomly selected (or all) pairs of structures characterizes the diversity of a chemical structure database (Demuth et al. 2004 Scsibrany et al. 2003). For structure similarity searches, a number of other similarity measures have been suggested (Gasteiger and Engel 2003 Willett 1987). 

No well-characterized indium imido derivative was known in 1980. In the past decade several examples have been synthesized and their structures determined. At present, however, their structural diversity does not match those of aluminium or gallium. The highest degree of aggregation currently known is four. 

The terpenoids form a large and structurally diverse family of natural products derived from C5 isoprene units (Figure 5.1) joined in a head-to-tail fashion. Typical structures contain carbon skeletons represented by (Cs) , and are classified as hemiterpenes (C5), monoterpenes (C10), sesquiterpenes (C15), diterpenes (C2o), sesterterpenes (C25), triterpenes (C30) and tetraterpenes (C40) (Figure 5.2). Higher polymers are encountered in materials such as rubber. Isoprene itself (Figure 5.1) had been characterized as a decomposition product from various natural cyclic hydrocarbons, and was suggested as the fundamental building block for these compounds, also referred to as isoprenoids . Isoprene is produced naturally but is not involved in the formation of... 

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