Lorentz JÄNTSCHI (lori) works ?id=303
- [id] => 303
- [recorddate] => 2017:08:29:13:29:30
- [lastupdate] => 2017:08:29:13:29:30
- [type] => conference
- [place] => Oradea, Romania
- [subject] => chemistry - computational; informatics - applied; mathematics - modeling
- [relatedworks] =>
- 3 (low):
- Computer assisted geometry optimization for in silico modeling, ?id=244

- 4 (some):
- A new method for mobile phase optimization in high-performance thin-layer chromatography (HPTLC), ?id=2
- A new mathematical model for the optimization of the mobile phase composition in HPTLC and the comparison with other models, ?id=3
- Graph theory. 1. Fragmentation of structural graphs, ?id=18
- Graph theory. 2. Vertex descriptors and graph coloring, ?id=19
- Thermal energy efficiency analysis for residential buildings, ?id=128
- Informational entropy of b-ary trees after a vertex cut, ?id=175
- Statistical approach of structure-activity relationships: a case study, ?id=181
- Biochemistry versus biomathematics in modelling of biological active compounds, ?id=185
- Predictivity approach for quantitative structure-property models. application for blood-brain barrier permeation of diverse drug-like compounds, ?id=236
- Linear regression modeling and validation strategies for structure-activity relationships, ?id=275
- Molecular modeling in compounds series with descriptors families, ?id=297
- Multiple linear regressions by maximizing the likelihood under assumption of generalized Gauss-Laplace distribution of the error, ?id=299
- Geometry optimization of nC24 cyclic polyyne cluster [presentation], ?id=305

- [file] => ?f=303
- [mime] => application/pdf
- [size] => 458187
- [pubname] => International Conference on Sciences
- [pubinfo] => University of Oradea, Faculty of Sciences
- [workinfo] => May 13-14, 2016, Oral presentation, (Friday) May 13, 2016, 15
^{00}-15^{20}
- [year] => 2016
- [title] => Extending characteristic polynomial from graphs to molecules
- [authors] => Lorentz JÄNTSCHI, Sorana BOLBOACĂ
- [abstract] =>

The characteristic polynomial is extended to account the type of the atom and the type of the bond; the natural extension gives instead of a polynomial formula a family of polynomials. The strategy of extending the characteristic polynomial has been tested on a series of congener compounds and very good results were obtained in terms of associating measured properties with the structure.
- [keywords] => characteristic polynomial; family of molecular descriptors