Lorentz JÄNTSCHI (lori) works ?id=87
- [id] => 87
- [recorddate] => 2007:01:13:17:24:03
- [lastupdate] => 2007:01:13:17:24:03
- [type] => article
- [place] => Cluj-Napoca, Romania
- [subject] => chemistry - biochemistry; chemistry - computational; chemistry - organic; engineering - agriculture; informatics - models implementation; mathematics - modeling
- [relatedworks] =>
- 2 (average):
- Activity characterization of triazines analogues: statistical parameters for models assessment, ?id=103
- [file] => ?f=87
- [mime] => application/pdf
- [size] => 80441
- [pubname] => BUASVMCN. Agriculture
- [pubinfo] => AcademicPres
- [pubkey] => ISSN 1454-2382
- [workinfo] => 62: 35-40
- [year] => 2006
- [title] => Molecular descriptors family on structure-activity relationships: modeling herbicidal activity of substituted triazines class
- [authors] => Sorana D. BOLBOACĂ, Lorentz JÄNTSCHI
- [abstract] =>
Herbicidal activity of a set of thirty 1,3,5-substituted-triazines were studied using an original structure-activity relationships approach. The cross-validation leave-one-out correlation score, the training vs. test analysis, and the model stability sustained the prediction ability of the best performing multi-varied model with four variables.
The comparison with the previous reported model was performed by the use of correlated correlation analysis.
The obtained multi-varied MDF-SAR model with four-descriptors shows that the herbicidal activity of 1,3,5- substituted-triazines is of geometrical and topological nature and is strongly depended on partial charges and number of directly bonded hydrogen’s.
- [keywords] => Molecular Descriptor Family on Structure-Activity Relationships (MDF-SAR); Herbicidal
Activity; Triazines; Multiple Linear Regressions (MLR)
- [acknowledgment] => The research was in part supported by UEFISCSU Romania through project ET36/2005.