Quantitative structure-activity relationship (QSAR) analysis of the acute sublethal neurotoxicity of solvents
Cronin, MT
HERO ID
659903
Reference Type
Journal Article
Year
1996
Language
English
PMID
| HERO ID | 659903 |
|---|---|
| In Press | No |
| Year | 1996 |
| Title | Quantitative structure-activity relationship (QSAR) analysis of the acute sublethal neurotoxicity of solvents |
| Authors | Cronin, MT |
| Journal | Toxicology In Vitro |
| Volume | 10 |
| Issue | 2 |
| Page Numbers | 103-110 |
| Abstract | BIOSIS COPYRIGHT: BIOL ABS. Acute, sublethal neurotoxicity data for the neurotropic effects of some common solvents were subjected to quantitative structure-activity relationship (QSAR) analysis. Hydrophobicity was found to be important in modelling neurotoxicity; however, highly significant QSARs from regression analysis were not obtained, which may imply that metabolic activity and differing mechanisms of action play an important role in neurotoxicity. It is proposed that hydrophobicity could be used to predict a 'minimal' neurotoxic effect level, above which there will be a neurotoxic effect. Principal component analysis was applied to separate chemicals with high neurotoxicity (EC30 less than 50 micromoles/litre) from those with low neurotoxicity. This was successful when parameters describing hydrophobicity, molecular volume and size, melting and boiling point were included and provides a potential method to predict whether a compound is highly neurotoxic. This suggests that in addition to p |
| Pmid | 20650188 |
| Is Certified Translation | No |
| Dupe Override | No |
| Comments | Journal: ISSN: |
| Is Public | Yes |
| Language Text | English |
| Keyword | Mathematics; Statistics; Biology; Biochemistry; Biophysics; Macromolecular systems; Molecular biology; Nervous system diseases pathology; Poisoning; Animals; laboratory; Muridae; 622-45-7; 540-59-0; 526-73-8; 142-82-5; 141-78-6; 127-18-4; 123-91-1; 123-86-4; 123-51-3; 110-86-1; 110-82-7; 110-54-3; 109-99-9; 109-66-0; 109-60-4; 108-99-6; 108-94-1; 108-90-7; 108-88-3; 108-67-8; 108-38-3; 107-06-2; 106-42-3; 103-65-1; 100-42-5; 100-41-4; 95-63-6; 95-47-6; 79-34-5; 79-20-9; 79-01-6; 79-00-5; 78-93-3; 78-92-2; 78-83-1; 75-15-0; 75-09-2; 71-55-6; 71-43-2; 71-41-0; 71-36-3; 71-23-8; 67-66-3; 67-64-1; 67-63-0; 60-29-7; 56-23-5 |
| Is Qa | No |