http://rdf.ncbi.nlm.nih.gov/pubchem/patent/DE-10350525-A1

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filingDate 2003-10-29-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_7497de1b7340f7de88b3a67af24e8a81
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publicationDate 2005-06-09-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber DE-10350525-A1
titleOfInvention Method for visualizing the ADME properties of chemical substances
abstract A procedure is described for the visualization of ADME properties as well as for the selection of chemical substances and structures on the basis of an indication-specific target profile. The method comprises the steps: a) determination or selection and then input of molecular properties of a plurality of substances or chemical structures in a computer system, b) compilation of one or more ADME maps by means of one or more biophysical models of possible manifestations of material properties for molecules of a selected molecular weight range, c) Linking the chemical structures from a) with the biophysical models from b) and optionally displaying the structures as data points in the ADME maps from b) ("mapping"), d) definition of an indication-specific target profile in the area of the ADME properties, e) Classification of structures in relation to the target profile, eg. Up to a molecular weight of 1000, and selection based on the classification.
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Total number of triples: 26.