Although tremendous effort has been put into synthetic libraries, most drugs on the market are still 10 natural compounds or derivatives thereof. There are encyclopaedias of natur...
Background: Mass spectrometry has become the analytical method of choice in metabolomics research. The identification of unknown compounds is the main bottleneck. In addition to t...
Background: The toxic effects of many simple organic compounds stem from their biotransformation to chemically reactive metabolites which bind covalently to cellular proteins. To ...
Robert P. Hanzlik, Yakov M. Koen, Bhargav Theertha...
Quantitative structure-activity relationships (QSARs) are regression models relating chemical structure to biological activity. Such models allow to make predictions for toxicologi...
Today, Web pages are usually accessed using text search engines, whereas documents stored in the deep Web are accessed through domain-specific Web portals. These portals rely on e...