Diversity selection

The geometrical structure of the perepoxide quasi-intermediate was suggested to play critical roles in determining diverse selectivities of the reactions of O with substituted olefins [92]. ... 

Another frequently used multicomponent reaction is the Kindler thioamide synthesis (the condensation of an aldehyde, an amine, and sulfur). The Kappe group has described a microwave-assisted protocol utilizing a diverse selection of 13 aldehyde and 12 amine precursors in the construction of a representative 34-member library of substituted thioamides (Scheme 6.114) [226]. The three-component con-... 

Human and ecological toxicity Diverse selected individual substances, e.g. pesticides, heavy metals and particulates (PM 10 equivalent)... 

Key Words Biological activity chemical descriptors chemical spaces classification methods compound databases decision trees diversity selection partitioning algorithms space transformation statistics statistical medians. 

Key Words Biological activity cell-based partitioning chemical descriptors classification clustering distance-based design diversity selection high-throughput screening quantitative structure-activity relationship. 

Diversity selection made based on 3D gridding and partitioning pharmacophores and all compounds include a synthetic handle. 

This review will compare the strategies taken by synthetic chemists to produce natural products with the strategies utilized by nature. What types of molecular scaffolds are made in each case in the process of assembling a natural product Rarely will the paths be identical, but are there features that reveal a more universal logic in the construction of these molecules Or, by contrast, are there fundamental distinctions between organic synthesis and biosynthesis To answer these questions we have chosen - from a biosynthetic point of view - a diverse selection of secondary metabolites, ranging from relatively simple terpenes and shikimate-derived... 

A large range of small-molecule physico-chemical properties can be computed and used for diversity selection and drug likeliness. Thus, drug-like mole-... 

The versatility of the novel reagent was investigated with a diverse selection of alcohols at room temperature with 3 equiv. of the reagent for 1 h. Results from the oxidations can be summarized as follows. Clean and rapid quantitative conversion to the respective aldehyde or ketone product was observed for all benzylic, allylic,... 

The ruthenium-catalyzed reactions by their diversity, selectivity, and interest for the production of fine chemicals, especially during the last decade, show that molecular ruthenium catalysts are not only versatile but that they have now become unavoidable tools in organic synthesis [127]. They also appear to be complementary to organic, enzyme, or other metal catalysts as they have the power to generate original activation pathways for the combination of a variety of simple and complex molecules. 

Expert judgment or literature information about target Directed Diversity Selection... 

A more in-depth discussion of three selection methods that are computationally feasible with very large chemical databases is now given to highlight the issues that must be considered when applying many of these molecular diversity selection... 

Burden, CAS, and University of Texas (BCUT) descriptors are well suited and widely used to describe diversity of a chemical population in a low dimensional Euclidian space and they allow for fast cell-based diversity selection algorithms (Pearlman and Smith, 1998). The DiverseSolutions... 

Companies will normally provide their customers with a wide and diverse selection of custom-formulated products. In addition, companies also have the ability to formulate new products for new resins or new consumer product applications. Because customers may select from more than 2000 different products that have already been formulated, the diversity of product options requires that direct sales to the customer be practiced in response to specific product orders. It would be impractical, if not impossible, to maintain the immense inventory that would be required to offer a distributorship-type operation. Conversely, compounders who produce a limited number of bulk products may effectively use a distributorship system to provide customers with their product. 

Despite the seemingly small market size, a wide and diverse selection of CDs is available. These include the naturally occurring and neutral CDs such... 

The selection of one or more components occurs as function of either internal (the nature and the geometry of the binding subunits, the stoichiometry, etc.) or external factors (nature of the solvent, the presence of specific molecules or ions, etc.). In view of the lability of the reversible molecular and supramolecular interactions (H-bonding, van der Waals, coordinative bonds, etc.) the self-assembly processes may present a number of novel features such as cooperativity, diversity, selection, or adaptation. 

Figure 1 SPE maps (see Section 4) showing subset selections using the nearest-neighbor distance metric for a diverse selection (top), and a similar selection (middle). A random selection is shown (bottom) for comparison. AH selections are 100 compounds from a 10,000-member library...

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