Source:http://linkedlifedata.com/resource/pubmed/id/17191944
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Predicate | Object |
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rdf:type | |
lifeskim:mentions | |
pubmed:issue |
11
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pubmed:dateCreated |
2006-12-28
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pubmed:abstractText |
The electrotopological state and molecular connectivity indices are defined as a system for molecular-structure description, using the term Structure-Information Representation. This system is built on the depiction of a molecule as a network composed of atoms of varying valence electron counts that constitute the valence state, bonded in discrete patterns constituting an electrotopological state. The system is employed in the structure-activity analysis of two sets of ADMET data. Models are created relating hepatotoxicity and human metabolic stability. The validity of these models makes them useful for activity prediction.
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pubmed:language |
eng
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pubmed:journal | |
pubmed:citationSubset |
IM
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pubmed:chemical | |
pubmed:status |
MEDLINE
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pubmed:month |
Nov
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pubmed:issn |
1612-1880
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pubmed:author | |
pubmed:issnType |
Electronic
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pubmed:volume |
2
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
1428-37
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pubmed:meshHeading | |
pubmed:year |
2005
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pubmed:articleTitle |
The prediction of ADMET properties using structure information representations.
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pubmed:affiliation |
Department of Medicinal Chemistry, School of Pharmacy and The Center for the Study of Biological Complexity, Virginia Commonwealth University Richmond, VA 23298, USA.
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pubmed:publicationType |
Journal Article
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