Linked Life Data

15698794

Source:http://linkedlifedata.com/resource/pubmed/id/15698794

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
5
pubmed:dateCreated
2005-2-8
pubmed:abstractText
TOPological Sub-structural MOlecular DEsign (TOPS-MODE) was used to assess acute aquatic toxicity of a series of 69 benzene derivatives. The obtained model was able to explain more than 88% of data variance, stressing the importance of molecule hydrophobicity and its dipolar moment, as well as the distance between their bonds to describe the property under study. On the other hand, this model was better than those obtained with Dragon software (Constitutional, Galvez topological charges indices and BCUT) using the same number of variables. This approach proved to be a very good method to assess acute aquatic toxicity of these king of compounds, which could be applied to other series of substances.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Mar
pubmed:issn
0968-0896
pubmed:author
pubmed:issnType
Print
pubmed:day
1
pubmed:volume
13
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1775-81
pubmed:dateRevised
2006-11-15
pubmed:meshHeading
pubmed:year
2005
pubmed:articleTitle
Quantitative structure-activity relationship to predict toxicological properties of benzene derivative compounds.
pubmed:affiliation
Drug Design Department, Experimental Sugar Cane Station 'Villa Clara-Cienfuegos', Ranchuelo, Villa Clara 53100, Cuba. mpgonzalez76@yahoo.es
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't