Computation of the physio-chemical properties and data mining of large molecular collections

Computation of the physio-chemical properties and data mining of large molecular collections

Very large data sets of molecules screened against a broad range of targets have become available due to the advent of combinatorial chemistry. This information has led to the realization that ADME (absorption, distribution, metabolism, and excretion) and toxicity issues are important to consider pr...

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 23(2002), 1 vom: 15. Jan., Seite 172-83
1. Verfasser: Cheng, Ailan (VerfasserIn)
Weitere Verfasser: Diller, David J, Dixon, Steven L, Egan, William J, Lauri, George, Merz, Kenneth M Jr
Format: Aufsatz
Sprache:English
Veröffentlicht: 2002
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Amino Acids statine YTC77XR1EK