Raport de cercetare - Lorentz JÄNTSCHI

0.9974 0.9948 2
22 RRC_lbr 30 - 98604
29
86409 r = 0.955 (2, n = 30) ? [ ] 0.7153 0.6755 1
0.8972 0.8745 2
0.9737 0.9650 4
0.9739 0.9637 4
23 RRC_lkow 30 - - 86388 0.70769 0.6586
30
1 [ ]
0.89433 0.8659 2
0.97805 0.9680 4
24 RRC_pka 30 - - 86373 0.68471 0.6418 1
0.85106 0.8198 2
0.96052 0.9490 4
0.96147 0.9464 4
0.96377 0.9474 4
25 MR10 10 349553 107692 r2 = 0.9755 (2, n=10)
31
[ ] 0.9919 0.9884
32
1 [ ]
0.99996 0.9999 2
26 52344 8 r 2 = 0.78 (1, n=8)
33
[ ] 0.90397 0.8316
34
1 [ ]
r 2 = 0.71 (1, n=8) 0.99946 0.9988 2
r 2 = 0.81 (2, n=8) 0.99978 0.99935 2
r 2 = 0.97 (4, n=8) 0.99980 0.99937 2
27 52730 10 0.9664 0.9466
35
1 [ ]
0.9983 0.9965 2
28 19654 23 r 2 = 0.8865 (3, n= 23)
36
[ ] 0.9222 0.9049 1
0.9895 0.9778 2
0.9973 0.9956 4
0.9978 0.9839 4
29 3300_ 35 r 2 = -0.979 (5, n=35)
37
[ ] 0.8295 0.8111 1
0.9172 0.9029 2
0.9184 0.9039 2
0.9655 0.9564 4
29 IVANCIUC O, Artificial neural netwoeks applications. Part 4. Quantitative structure-activity
relationships for the estimation of the relative toxicity of phenols for Tetrahymena, Revue
Roumanian de Chinie, 1998, 43 (3), 255-260.
30 Lorentz JÄNTSCHI, Sorana-Daniela BOLBOACĂ, Mihaela UNGUREŞAN, Modeling the
Octanol-Water Partition Coefficient of Substituted Phenols by the Use of Structure Information,
Proceedings of the 3rd Humboldt Conference on Computational Chemistry, Varna, Bulgaria, May
25-27, 2006.
31 Jäntschi L., Mureşan S., Diudea M.V., Modeling molar refraction and chromatographic retention
by Szeged Indices, Studia Universitatis Babeş-Bolyai, Chemia, 2000, XLV(1-2), p. 313-318
32 Lorentz JÄNTSCHI and Sorana BOLBOACĂ, Molecular Descriptors Family on Structure
Activity Relationships 4. Molar Refraction of Cyclic Organophosphorus Compounds, Leonardo
Electronic Journal of Practices and Technologies, AcademicDirect, 2005, Issue 7, p. 55-102.
33 Shertzer GH, Tabor MW, Hogan ITD, Brown JS, Sainsbury M. Molecular modeling parameters
predict antioxidant efficacy of 3-indolyl compounds. Arch Toxicol 1996;70:830-4.
34 Sorana BOLBOACĂ, Claudia FILIP, Ştefan ŢIGAN, Lorentz JÄNTSCHI, Antioxidant Efficacy
of 3-Indolyl Derivates by Complex Information Integration, Clujul Medical, 2006.
35 Sorana Daniela BOBLOACĂ, Lorentz JÄNTSCHI. Modeling of Structure-Toxicity Relationship
of Alkyl Metal Compounds by Integration of Complex Structural Information. Terapeutics,
Pharmacology and Clinical Toxicology, 2006, X(1), p. 110-114.
36 Yu-xin Zhou, Lu Xu, Ya-ping Wu, Bai-li Liu, A QSAR study of the antiallergic activities of
substituted benzamides and their structures, Chemometrics and Intelligent Laboratory Systems,
1999, 45, 95-100.
37 Hiroshi Morita, Akira Gonda, Lan Wei, Koichi Takeya, and Hideji Itokawa, 3D QSAR ANALYSIS
OF TAXOIDS FROM TAXUS CUSPIDATA VAR. NANA BY COMPARATIVE MOLECULAR
FIELD APPROACH, Bioorganic & Medicinal Chemistry Letters, 1997, Vol. 7, No. 18, pp. 2387-
2392.
204