Nenad Trinajstic

According to our database1, Nenad Trinajstic authored at least 60 papers between 1981 and 2019.

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Bibliography

2019
Calculation of topological molecular descriptors based on degrees of vertices.
Proceedings of the 42nd International Convention on Information and Communication Technology, 2019

2014
Comparison between the Wiener index and the Zagreb indices and the eccentric connectivity index for trees.
Discret. Appl. Math., 2014

2011
Relationship between the eccentric connectivity index and Zagreb indices.
Comput. Math. Appl., 2011

On the general sum-connectivity index of trees.
Appl. Math. Lett., 2011

2009
Topological Complexity of Molecules.
Proceedings of the Encyclopedia of Complexity and Systems Science, 2009

On reciprocal complementary Wiener number.
Discret. Appl. Math., 2009

2004
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, 2004

Coding and Ordering Kekulé Structures.
Journal of Chemical Information and Modeling, 2004

Random Walks and Chemical Graph Theory.
Journal of Chemical Information and Modeling, 2004

2003
Atomic Walk Counts of Negative Order.
Journal of Chemical Information and Computer Sciences, 2003

Nanotubes: Number of Kekulé Structures and Aromaticity.
Journal of Chemical Information and Computer Sciences, 2003

Toward Generating Simpler QSAR Models: Nonlinear Multivariate Regression versus Several Neural Network Ensembles and Some Related Methods.
Journal of Chemical Information and Computer Sciences, 2003

2001
Distance-Related Indexes in the Quantitative Structure-Property Relationship Modeling.
Journal of Chemical Information and Computer Sciences, 2001

2000
Complexity of Molecules.
Journal of Chemical Information and Computer Sciences, 2000

Nonlinear Multivariate Regression Outperforms Several Concisely Designed Neural Networks on Three QSPR Data Sets.
Journal of Chemical Information and Computer Sciences, 2000

QSPR Modeling: Graph Connectivity Indices versus Line Graph Connectivity Indices.
Journal of Chemical Information and Computer Sciences, 2000

A Comparative QSAR Study of Benzamidines Complement-inhibitory Activity and Benzene Derivatives Acute Toxicity.
Computers & Chemistry, 2000

1999
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, 1999

Multivariate Regression Outperforms Several Robust Architectures of Neural Networks in QSAR Modeling.
Journal of Chemical Information and Computer Sciences, 1999

Prediction of pK Values, Half-Lives, and Electronic Spectra of Flavylium Salts from Molecular Structure.
Journal of Chemical Information and Computer Sciences, 1999

1998
Clar Polynomials of Large Benzenoid Systems.
Journal of Chemical Information and Computer Sciences, 1998

Comparison between the Vertex- and Edge-Connectivity Indices for Benzenoid Hydrocarbons.
Journal of Chemical Information and Computer Sciences, 1998

The Vertex-Connectivity Index Revisited.
Journal of Chemical Information and Computer Sciences, 1998

QSAR of Flavylium Salts as Inhibitors of Xanthine Oxidase.
Journal of Chemical Information and Computer Sciences, 1998

Preference Functions for Prediction of Membrane-buried Helices in Integral Membrane Proteins.
Computers & Chemistry, 1998

1997
The Detour Matrix in Chemistry.
Journal of Chemical Information and Computer Sciences, 1997

The Characteristic Polynomial as a Structure Discriminator.
Journal of Chemical Information and Computer Sciences, 1997

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, 1997

TAM: A Program for the Calculation of Topological Indices in QSPR and QSAR Studies.
Computers & Chemistry, 1997

1996
Link between Orthogonal and Standard Multiple Linear Regression Models.
Journal of Chemical Information and Computer Sciences, 1996

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, 1996

On the Relation between the P'/P Index and the Wiener Number.
Journal of Chemical Information and Computer Sciences, 1996

Möbius Inversion on a Poset of a Graph and Its Acyclic Subgraphs.
Discret. Appl. Math., 1996

1995
Compact Codes: On Nomenclature of Acyclic Chemical Compounds.
Journal of Chemical Information and Computer Sciences, 1995

A Remark on the Naming of Cata-Condensed Benzenoids with Base 5 Numbers.
Journal of Chemical Information and Computer Sciences, 1995

A Comparison between the Matula Numbers and Bit-tuple Notation for Rooted Trees.
Journal of Chemical Information and Computer Sciences, 1995

Notes on isocodal graphs.
Journal of Chemical Information and Computer Sciences, 1995

The walk ID number revisited. [Erratum to document cited in CA118: 146918].
Journal of Chemical Information and Computer Sciences, 1995

The Structure-Property Models Can Be Improved Using the Orthogonalized Descriptors.
Journal of Chemical Information and Computer Sciences, 1995

Calculation of Retention Times of Anthocyanins with Orthogonalized Topological Indices.
Journal of Chemical Information and Computer Sciences, 1995

Structure-Activity Correlation of Flavone Derivatives for Inhibition of cAMP Phosphodiesterase.
Journal of Chemical Information and Computer Sciences, 1995

Analytical Approach to Very Large Benzenoid Polymers.
Journal of Computational Chemistry, 1995

1994
The Laplacian matrix in chemistry.
Journal of Chemical Information and Computer Sciences, 1994

Graphical bond orders: Novel structural descriptors.
Journal of Chemical Information and Computer Sciences, 1994

Bit-tuple Notation for Trees.
Journal of Chemical Information and Computer Sciences, 1994

Chemical Nomenclatures and the Computer.
Computers & Chemistry, 1994

1993
The walk ID number revisited.
Journal of Chemical Information and Computer Sciences, 1993

A novel definition of the Wiener index for trees.
Journal of Chemical Information and Computer Sciences, 1993

Topics in Current Chemistry 166: Computer Chemistry.
Computers & Chemistry, 1993

Pyracylene Rearrangement Classes of Fullerene Isomers.
Computers & Chemistry, 1993

1992
Comparative study of molecular descriptors derived from the distance matrix.
Journal of Chemical Information and Computer Sciences, 1992

Molecular topological index: a relation with the Wiener index.
Journal of Chemical Information and Computer Sciences, 1992

1991
On the determinant of the adjacency-plus-distance matrix as the topological index for characterizing alkanes.
Journal of Chemical Information and Computer Sciences, 1991

1990
Molecular topological index.
Journal of Chemical Information and Computer Sciences, 1990

Use of small computers for large computations: enumeration of polyhex hydrocarbons.
Journal of Chemical Information and Computer Sciences, 1990

Development of 3-dimensional molecular descriptors.
Computers & Chemistry, 1990

The conjugated-circuit model.
Computers & Chemistry, 1990

1985
On Randic's molecular identification numbers.
Journal of Chemical Information and Computer Sciences, 1985

1984
Computer enumeration of substituted polyhexes.
Computers & Chemistry, 1984

1981
Computer enumeration and generation of trees and rooted trees.
Journal of Chemical Information and Computer Sciences, 1981


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