Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
11
pubmed:dateCreated
2006-12-28
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.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Nov
pubmed:issn
1612-1880
pubmed:author
pubmed:issnType
Electronic
pubmed:volume
2
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1428-37
pubmed:meshHeading
pubmed:year
2005
pubmed:articleTitle
The prediction of ADMET properties using structure information representations.
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.
pubmed:publicationType
Journal Article