PubMed · 10137339
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M Manning. 1994. Enhancing performance with benchmarking.. https://pubmed.ncbi.nlm.nih.gov/10137339/
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A series of ubiquitously occurring saturated and monounsaturated six-carbon aldehydes, alcohols and esters thereof is summarised as 'green leaf volatiles' (GLVs). The present study gives a comprehensive data collection of retention indices of 35 GLVs on commonly used non-polar DB-5, mid-polar DB-1701, and polar DB-Wax stationary phases. Seventeen commercially not available compounds were synthesised. Thus, the present study allows reliable identification of most known GLV in natural plant volatile samples. Applications revealed the presence of several seldom reported GLVs in headspace samples of mechanically damaged plant leaves of Carpinus betulus and Fagus sylvatica.
A promising strategy for selecting synthetic targets is similarity-based searching of very large "virtual libraries", which comprise all structures accessible by linking two or three commercially available building blocks with combinatorial syntheses. To assess the general applicability of this strategy, leading structures taken from each of 34 recent medicinal chemistry publications were used as queries to search a virtual library containing 2.6 x 10(13) products from seven reactions, using a topomer shape similarity metric. Eighty-five percent of these searches succeeded, by yielding, with a search radius no greater than 120 topomer shape units, either at least 400 hits or hits from at least six sublibraries. From these 34 sets of search results, 122 representative structures were selected, illustrating potential "lead hops", or otherwise novel structures. Overall shape similarity to the query structure was confirmed for up to 95% of these representative structures, according to FLEXS, an algorithmically distinct program. Experimentally, there were 28 structures among those reported in the 34 query publications that were identified within the virtual library. Among these, the frequency of high activity was 87% for the 16 structures whose similarity to their query was 90 topomer units or less, compared to a frequency of 50% for the other 12 structures.
The NCBI has introduced two new web resources-LocusLink and RefSeq-that facilitate retrieval of gene-based information and provide reference sequence standards. These resources are designed to provide a non-redundant view of current knowledge about human genes, transcripts and proteins. Additional information about these resources is available on the LocusLink web site at http://www.ncbi.nlm.nih.gov/LocusLink/