2004 |
54 | EE | Teuta Pilizota,
Bono Lucic,
Nenad Trinajstic:
Use of Variable Selection in Modeling the Secondary Structural Content of Proteins from Their Composition of Amino Acid Residues.
Journal of Chemical Information and Modeling 44(1): 113-121 (2004) |
53 | EE | Ante Milicevic,
Sonja Nikolic,
Nenad Trinajstic:
Coding and Ordering Kekulé Structures.
Journal of Chemical Information and Modeling 44(2): 415-421 (2004) |
52 | EE | Douglas J. Klein,
José Luis Palacios,
Milan Randic,
Nenad Trinajstic:
Random Walks and Chemical Graph Theory.
Journal of Chemical Information and Modeling 44(5): 1521-1525 (2004) |
2003 |
51 | EE | István Lukovits,
Ante Graovac,
Erika Kálmán,
György Kaptay,
Peter I. Nagy,
Sonja Nikolic,
Jaroslav Sytchev,
Nenad Trinajstic:
Nanotubes: Number of Kekulé Structures and Aromaticity.
Journal of Chemical Information and Computer Sciences 43(2): 609-614 (2003) |
50 | EE | Bono Lucic,
Damir Nadramija,
Ivan Basic,
Nenad Trinajstic:
Toward Generating Simpler QSAR Models: Nonlinear Multivariate Regression versus Several Neural Network Ensembles and Some Related Methods.
Journal of Chemical Information and Computer Sciences 43(4): 1094-1102 (2003) |
49 | EE | István Lukovits,
Nenad Trinajstic:
Atomic Walk Counts of Negative Order.
Journal of Chemical Information and Computer Sciences 43(4): 1110-1114 (2003) |
2001 |
48 | EE | Bono Lui,
István Lukovits,
Sonja Nikolic,
Nenad Trinajstic:
Distance-Related Indexes in the Quantitative Structure-Property Relationship Modeling.
Journal of Chemical Information and Computer Sciences 41(3): 527-535 (2001) |
2000 |
47 | EE | Subhash C. Basak,
Brian D. Gute,
Bono Lucic,
Sonja Nikolic,
Nenad Trinajstic:
A Comparative QSAR Study of Benzamidines Complement-inhibitory Activity and Benzene Derivatives Acute Toxicity.
Computers & Chemistry 24(2): 181-191 (2000) |
46 | EE | Bono Lucic,
Dragan Amic,
Nenad Trinajstic:
Nonlinear Multivariate Regression Outperforms Several Concisely Designed Neural Networks on Three QSPR Data Sets.
Journal of Chemical Information and Computer Sciences 40(2): 403-413 (2000) |
45 | EE | Sonja Nikolic,
Nenad Trinajstic,
Iva Marija Tolic:
Complexity of Molecules.
Journal of Chemical Information and Computer Sciences 40(4): 920-926 (2000) |
44 | EE | Subhash C. Basak,
Sonja Nikolic,
Nenad Trinajstic,
Dragan Amic,
Drago Beslo:
QSPR Modeling: Graph Connectivity Indices versus Line Graph Connectivity Indices.
Journal of Chemical Information and Computer Sciences 40(4): 927-933 (2000) |
1999 |
43 | EE | Bono Lui,
Nenad Trinajstic:
Multivariate Regression Outperforms Several Robust Architectures of Neural Networks in QSAR Modeling.
Journal of Chemical Information and Computer Sciences 39(1): 121-132 (1999) |
42 | EE | Bono Lui,
Nenad Trinajstic,
Sulev Sild,
Mati Karelson,
Alan R. Katritzky:
A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors.
Journal of Chemical Information and Computer Sciences 39(3): 610-621 (1999) |
41 | EE | Dragan Amic,
Dusanka Davidovic-Amic,
Drago Beslo,
Bono Lucic,
Nenad Trinajstic:
Prediction of pK Values, Half-Lives, and Electronic Spectra of Flavylium Salts from Molecular Structure.
Journal of Chemical Information and Computer Sciences 39(6): 967-973 (1999) |
1998 |
40 | EE | Davor Juretic,
Damir Zucic,
Bono Lucic,
Nenad Trinajstic:
Preference Functions for Prediction of Membrane-buried Helices in Integral Membrane Proteins.
Computers & Chemistry 22(4): 279-294 (1998) |
39 | EE | Sonja Nikolic,
Nenad Trinajstic,
Ivo Baucic:
Comparison between the Vertex- and Edge-Connectivity Indices for Benzenoid Hydrocarbons.
Journal of Chemical Information and Computer Sciences 38(1): 42-46 (1998) |
38 | EE | Milan Randic,
Sherif El-Basil,
Sonja Nikolic,
Nenad Trinajstic:
Clar Polynomials of Large Benzenoid Systems.
Journal of Chemical Information and Computer Sciences 38(4): 563-574 (1998) |
37 | EE | Dragan Amic,
Dusanka Davidovic-Amic,
Drago Beslo,
Bono Lucic,
Nenad Trinajstic:
QSAR of Flavylium Salts as Inhibitors of Xanthine Oxidase.
Journal of Chemical Information and Computer Sciences 38(5): 815-818 (1998) |
36 | EE | Dragan Amic,
Dusanka Davidovic-Amic,
Drago Beslo,
Bono Lucic,
Nenad Trinajstic,
Sonja Nikolic:
The Vertex-Connectivity Index Revisited.
Journal of Chemical Information and Computer Sciences 38(5): 819-822 (1998) |
1997 |
35 | EE | Mijo Vedrina,
Stribor Markovi,
Marica Medi-ari,
Nenad Trinajstic:
TAM: A Program for the Calculation of Topological Indices in QSPR and QSAR Studies.
Computers & Chemistry 21(6): 355-361 (1997) |
34 | EE | Dragan Amic,
Dusanka Davidovic-Amic,
Drago Beslo,
Bono Lucic,
Nenad Trinajstic:
The Use of the Ordered Orthogonalized Multivariate Linear Regression in a Structure-Activity Study of Coumarin and Flavonoid Derivatives as Inhibitors of Aldose Reductase.
Journal of Chemical Information and Computer Sciences 37(3): 581-586 (1997) |
33 | EE | Nenad Trinajstic,
Sonja Nikolic,
Bono Lucic,
Dragan Amic,
Zlatko Mihalic:
The Detour Matrix in Chemistry.
Journal of Chemical Information and Computer Sciences 37(4): 631-638 (1997) |
32 | EE | Milan Randic,
Wolfgang R. Mueller,
Jan V. Knop,
Nenad Trinajstic:
The Characteristic Polynomial as a Structure Discriminator.
Journal of Chemical Information and Computer Sciences 37(6): 1072-1077 (1997) |
1996 |
31 | EE | Darko Babic,
Nenad Trinajstic:
Möbius Inversion on a Poset of a Graph and Its Acyclic Subgraphs.
Discrete Applied Mathematics 67(1-3): 5-11 (1996) |
30 | EE | Milan Soskic,
Dejan Plavsic,
Nenad Trinajstic:
2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as Inhibitors of Hill Reaction: A QSAR Study with Orthogonalized Descriptors.
Journal of Chemical Information and Computer Sciences 36(1): 146-150 (1996) |
29 | EE | Milan Soskic,
Dejan Plavsic,
Nenad Trinajstic:
Link between Orthogonal and Standard Multiple Linear Regression Models.
Journal of Chemical Information and Computer Sciences 36(4): 829-832 (1996) |
28 | EE | Dejan Plavsic,
Milan Soskic,
Irena Landeka,
Nenad Trinajstic:
On the Relation between the P'/P Index and the Wiener Number.
Journal of Chemical Information and Computer Sciences 36(6): 1123-1126 (1996) |
1995 |
27 | | Dragan Amic,
Dusanka Davidovic-Amic,
Nenad Trinajstic:
Calculation of Retention Times of Anthocyanins with Orthogonalized Topological Indices.
Journal of Chemical Information and Computer Sciences 35(1): 136-139 (1995) |
26 | | Wolfgang R. Mueller,
Klaus Szymanski,
Jan V. Knop,
Nenad Trinajstic:
A Comparison between the Matula Numbers and Bit-tuple Notation for Rooted Trees.
Journal of Chemical Information and Computer Sciences 35(2): 211-213 (1995) |
25 | | Milan Randic,
Sonja Nikolic,
Nenad Trinajstic:
Compact Codes: On Nomenclature of Acyclic Chemical Compounds.
Journal of Chemical Information and Computer Sciences 35(3): 357-365 (1995) |
24 | | Bono Lucic,
Sonja Nikolic,
Nenad Trinajstic,
Davor Juretic:
The Structure-Property Models Can Be Improved Using the Orthogonalized Descriptors.
Journal of Chemical Information and Computer Sciences 35(3): 532-538 (1995) |
23 | | Wolfgang R. Mueller,
Klaus Szymanski,
Jan V. Knop,
Nenad Trinajstic:
A Remark on the Naming of Cata-Condensed Benzenoids with Base 5 Numbers.
Journal of Chemical Information and Computer Sciences 35(4): 759-760 (1995) |
22 | | Wolfgang R. Mueller,
Klaus Szymanski,
Jan V. Knop,
Zlatko Mihalic,
Nenad Trinajstic:
The walk ID number revisited. [Erratum to document cited in CA118: 146918].
Journal of Chemical Information and Computer Sciences 35(4): 786-786 (1995) |
21 | | Wolfgang R. Mueller,
Klaus Szymanski,
Jan V. Knop,
Zlatko Mihalic,
Nenad Trinajstic:
Notes on isocodal graphs.
Journal of Chemical Information and Computer Sciences 35(5): 871-873 (1995) |
20 | | Dragan Amic,
Dusanka Davidovic-Amic,
Albin Juric,
Bono Lucic,
Nenad Trinajstic:
Structure-Activity Correlation of Flavone Derivatives for Inhibition of cAMP Phosphodiesterase.
Journal of Chemical Information and Computer Sciences 35(6): 1034-1038 (1995) |
19 | | Tomislav P. Zivkovic,
Milan Randic,
Douglas J. Klein,
Hongyao Zhu,
Nenad Trinajstic:
Analytical Approach to Very Large Benzenoid Polymers.
Journal of Computational Chemistry 16(4): 517-526 (1995) |
1994 |
18 | EE | Nenad Trinajstic:
Chemical Nomenclatures and the Computer.
Computers & Chemistry 18(4): 435-436 (1994) |
17 | EE | Nenad Trinajstic,
Darko Babic,
Sonja Nikolic,
Dejan Plavsic,
Dragan Amic,
Zlatko Mihalic:
The Laplacian matrix in chemistry.
Journal of Chemical Information and Computer Sciences 34(2): 368-376 (1994) |
16 | EE | Milan Randic,
Zlatko Mihalic,
Sonja Nikolic,
Nenad Trinajstic:
Graphical bond orders: Novel structural descriptors.
Journal of Chemical Information and Computer Sciences 34(2): 403-409 (1994) |
15 | EE | Wolfgang R. Mueller,
Klaus Szymanski,
Jan V. Knop,
Nenad Trinajstic:
Bit-tuple Notation for Trees.
Journal of Chemical Information and Computer Sciences 34(4): 960-961 (1994) |
1993 |
14 | EE | Darko Babic,
Nenad Trinajstic:
Pyracylene Rearrangement Classes of Fullerene Isomers.
Computers & Chemistry 17(3): 271-275 (1993) |
13 | EE | Nenad Trinajstic:
Topics in Current Chemistry 166: Computer Chemistry.
Computers & Chemistry 17(4): 405-406 (1993) |
12 | EE | Bojan Mohar,
Darko Babic,
Nenad Trinajstic:
A novel definition of the Wiener index for trees.
Journal of Chemical Information and Computer Sciences 33(1): 153-154 (1993) |
11 | EE | Wolfgang R. Mueller,
Klaus Szymanski,
Jan V. Knop,
Zlatko Mihalic,
Nenad Trinajstic:
The walk ID number revisited.
Journal of Chemical Information and Computer Sciences 33(2): 231-233 (1993) |
1992 |
10 | EE | Zlatko Mihalic,
Sonja Nikolic,
Nenad Trinajstic:
Comparative study of molecular descriptors derived from the distance matrix.
Journal of Chemical Information and Computer Sciences 32(1): 28-37 (1992) |
9 | EE | Douglas J. Klein,
Zlatko Mihalic,
Dejan Plavsic,
Nenad Trinajstic:
Molecular topological index: a relation with the Wiener index.
Journal of Chemical Information and Computer Sciences 32(4): 304-305 (1992) |
1991 |
8 | EE | Jan V. Knop,
Wolfgang R. Mueller,
Klaus Szymanski,
Nenad Trinajstic:
On the determinant of the adjacency-plus-distance matrix as the topological index for characterizing alkanes.
Journal of Chemical Information and Computer Sciences 31(1): 83-84 (1991) |
1990 |
7 | EE | Milan Randic,
Borka Jerman-Blazic,
Nenad Trinajstic:
Development of 3-dimensional molecular descriptors.
Computers & Chemistry 14(3): 237-246 (1990) |
6 | EE | Sonja Nikolic,
Nenad Trinajstic,
Douglas J. Klein:
The conjugated-circuit model.
Computers & Chemistry 14(4): 313-322 (1990) |
5 | EE | Jan V. Knop,
Wolfgang R. Mueller,
Klaus Szymanski,
Nenad Trinajstic:
Use of small computers for large computations: enumeration of polyhex hydrocarbons.
Journal of Chemical Information and Computer Sciences 30(2): 159-160 (1990) |
4 | EE | Wolfgang R. Mueller,
Klaus Szymanski,
Jan V. Knop,
Nenad Trinajstic:
Molecular topological index.
Journal of Chemical Information and Computer Sciences 30(2): 160-163 (1990) |
1985 |
3 | EE | Klaus Szymanski,
Wolfgang R. Mueller,
Jan V. Knop,
Nenad Trinajstic:
On Randic's molecular identification numbers.
Journal of Chemical Information and Computer Sciences 25(4): 413-415 (1985) |
1984 |
2 | EE | Jan V. Knop,
Klaus Szymanski,
L. Klasinc,
Nenad Trinajstic:
Computer enumeration of substituted polyhexes.
Computers & Chemistry 8(2): 107-115 (1984) |
1981 |
1 | EE | Jan V. Knop,
Wolfgang R. Mueller,
Z. Jericevic,
Nenad Trinajstic:
Computer enumeration and generation of trees and rooted trees.
Journal of Chemical Information and Computer Sciences 21(2): 91-99 (1981) |