Exact(1)
These calculations thus can become time-consuming in applications where one wishes to process multiple compounds, such as a commercial compound catalog.
Similar(59)
Many vendorsoffer their compound catalogs in the form of chemical data files.
(3) This allows the use of simple model compounds to catalog the lipophilicity of ionizable groups and to analyze factors that influence log PI.
Virtual high throughput screening of in-house compound collections and vendor catalogs is a validated approach in the quest for novel molecular entities.
The program works as groupware to allow a geographically distant project team to work together on a chemical compound or as an online catalog to sell chemicals.
To catalog all the compounds in breath, rather than just a targeted few, Cristina Davis, a chemical sensing expert at the University of California, Davis, and her colleagues teamed up with researchers at the National Marine Mammal Foundation in San Diego, California, who study a group of trained bottlenose dolphins owned by the U.S. Navy.
Clustering analysis of tumor cell cytotoxicity profiles for the National Cancer Institute (NCI)'s open compound repository has been used to catalog over 1100 metal or metalloid containing compounds with potential anticancer activity.
The catalog data for a commercial compound library of ca. 2.5 mln synthetic building blocks were downloaded from the internet site (http://www.abamachem.net/).net/
aThe number of sellers and resellers of chemical compounds who make their catalogs available to download in an accessible format, such as MDL SDfile, is large.
All spectra were analyzed in accordance with the catalog of Spectrometric Identification of Organic Compounds [12].
Among these compounds, 23 (ordered from www.specs.net under catalog number AE-848/34436002) showed an antagonist activity similar to 7, but demonstrated the best selectivity for RXRα.
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