Computer enumeration and generation of trees and rooted trees. - Jan V. Knop; Wolfgang R. Mueller; Z. Jericevic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1981)

Computer enumeration of substituted polyhexes. - Jan V. Knop; Klaus Szymanski; Leo Klasinc; Nenad Trinajstic (Comput. Chem., 1984)

On Randic's molecular identification numbers. - Klaus Szymanski; Wolfgang R. Mueller; Jan V. Knop; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1985)

The conjugated-circuit model. - Sonja Nikolic; Nenad Trinajstic; Douglas J. Klein (Comput. Chem., 1990)

Development of 3-dimensional molecular descriptors. - Milan Randic; Borka Jerman-Blazic; Nenad Trinajstic (Comput. Chem., 1990)

Use of small computers for large computations: enumeration of polyhex hydrocarbons. - Jan V. Knop; Wolfgang R. Mueller; Klaus Szymanski; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1990)

Molecular topological index. - Wolfgang R. Mueller; Klaus Szymanski; Jan V. Knop; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1990)

On the determinant of the adjacency-plus-distance matrix as the topological index for characterizing alkanes. - Jan V. Knop; Wolfgang R. Mueller; Klaus Szymanski; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1991)

Molecular topological index: a relation with the Wiener index. - Douglas J. Klein; Zlatko Mihalic; Dejan Plavsic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1992)

Comparative study of molecular descriptors derived from the distance matrix. - Zlatko Mihalic; Sonja Nikolic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1992)

Pyracylene Rearrangement Classes of Fullerene Isomers. - Darko Babic; Nenad Trinajstic (Comput. Chem., 1993)

Topics in Current Chemistry 166: Computer Chemistry. - Nenad Trinajstic (Comput. Chem., 1993)

A novel definition of the Wiener index for trees. - Bojan Mohar; Darko Babic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1993)

The walk ID number revisited. - Wolfgang R. Mueller; Klaus Szymanski; Jan V. Knop; Zlatko Mihalic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1993)

Chemical Nomenclatures and the Computer. - Nenad Trinajstic (Comput. Chem., 1994)

Bit-tuple Notation for Trees. - Wolfgang R. Mueller; Klaus Szymanski; Jan V. Knop; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1994)

Graphical bond orders: Novel structural descriptors. - Milan Randic; Zlatko Mihalic; Sonja Nikolic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1994)

The Laplacian matrix in chemistry. - Nenad Trinajstic; Darko Babic; Sonja Nikolic; Dejan Plavsic; Dragan Amic; Zlatko Mihalic (J. Chem. Inf. Comput. Sci., 1994)

Analytical Approach to Very Large Benzenoid Polymers. - Tomislav P. Zivkovic; Milan Randic; Douglas J. Klein; Hongyao Zhu; Nenad Trinajstic (J. Comput. Chem., 1995)

Structure-Activity Correlation of Flavone Derivatives for Inhibition of cAMP Phosphodiesterase. - Dragan Amic; Dusanka Davidovic-Amic; Albin Juric; Bono Lucic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1995)

Calculation of Retention Times of Anthocyanins with Orthogonalized Topological Indices. - Dragan Amic; Dusanka Davidovic-Amic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1995)

The Structure-Property Models Can Be Improved Using the Orthogonalized Descriptors. - Bono Lucic; Sonja Nikolic; Nenad Trinajstic; Davor Juretic (J. Chem. Inf. Comput. Sci., 1995)

The walk ID number revisited. [Erratum to document cited in CA118: 146918]. - Wolfgang R. Mueller; Klaus Szymanski; Jan V. Knop; Zlatko Mihalic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1995)

Notes on isocodal graphs. - Wolfgang R. Mueller; Klaus Szymanski; Jan V. Knop; Zlatko Mihalic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1995)

A Comparison between the Matula Numbers and Bit-tuple Notation for Rooted Trees. - Wolfgang R. Mueller; Klaus Szymanski; Jan V. Knop; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1995)

A Remark on the Naming of Cata-Condensed Benzenoids with Base 5 Numbers. - Wolfgang R. Mueller; Klaus Szymanski; Jan V. Knop; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1995)

Compact Codes: On Nomenclature of Acyclic Chemical Compounds. - Milan Randic; Sonja Nikolic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1995)

Möbius Inversion on a Poset of a Graph and Its Acyclic Subgraphs. - Darko Babic; Nenad Trinajstic (Discret. Appl. Math., 1996)

On the Relation between the P'/P Index and the Wiener Number. - Dejan Plavsic; Milan Soskic; Irena Landeka; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1996)

2-Difluoromethylthio-4, 6-bis(monoalkylamino)-1, 3, 5-triazines as Inhibitors of Hill Reaction: A QSAR Study with Orthogonalized Descriptors. - Milan Soskic; Dejan Plavsic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1996)

Link between Orthogonal and Standard Multiple Linear Regression Models. - Milan Soskic; Dejan Plavsic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1996)

TAM: A Program for the Calculation of Topological Indices in QSPR and QSAR Studies. - Mijo Vedrina; Stribor Markovi; Marica Medi-ari; Nenad Trinajstic (Comput. Chem., 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. - Dragan Amic; Dusanka Davidovic-Amic; Drago Beslo; Bono Lucic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1997)

The Characteristic Polynomial as a Structure Discriminator. - Milan Randic; Wolfgang R. Mueller; Jan V. Knop; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1997)

The Detour Matrix in Chemistry. - Nenad Trinajstic; Sonja Nikolic; Bono Lucic; Dragan Amic; Zlatko Mihalic (J. Chem. Inf. Comput. Sci., 1997)

Preference Functions for Prediction of Membrane-buried Helices in Integral Membrane Proteins. - Davor Juretic; Damir Zucic; Bono Lucic; Nenad Trinajstic (Comput. Chem., 1998)

QSAR of Flavylium Salts as Inhibitors of Xanthine Oxidase. - Dragan Amic; Dusanka Davidovic-Amic; Drago Beslo; Bono Lucic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1998)

The Vertex-Connectivity Index Revisited. - Dragan Amic; Dusanka Davidovic-Amic; Drago Beslo; Bono Lucic; Nenad Trinajstic; Sonja Nikolic (J. Chem. Inf. Comput. Sci., 1998)

Comparison between the Vertex- and Edge-Connectivity Indices for Benzenoid Hydrocarbons. - Sonja Nikolic; Nenad Trinajstic; Ivo Baucic (J. Chem. Inf. Comput. Sci., 1998)

Clar Polynomials of Large Benzenoid Systems. - Milan Randic; Sherif El-Basil; Sonja Nikolic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1998)

Prediction of pK Values, Half-Lives, and Electronic Spectra of Flavylium Salts from Molecular Structure. - Dragan Amic; Dusanka Davidovic-Amic; Drago Beslo; Bono Lucic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1999)

Multivariate Regression Outperforms Several Robust Architectures of Neural Networks in QSAR Modeling. - Bono Lui; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 1999)

A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors. - Bono Lui; Nenad Trinajstic; Sulev Sild; Mati Karelson; Alan R. Katritzky (J. Chem. Inf. Comput. Sci., 1999)

A Comparative QSAR Study of Benzamidines Complement-inhibitory Activity and Benzene Derivatives Acute Toxicity. - Subhash C. Basak; Brian D. Gute; Bono Lucic; Sonja Nikolic; Nenad Trinajstic (Comput. Chem., 2000)

QSPR Modeling: Graph Connectivity Indices versus Line Graph Connectivity Indices. - Subhash C. Basak; Sonja Nikolic; Nenad Trinajstic; Dragan Amic; Drago Beslo (J. Chem. Inf. Comput. Sci., 2000)

Nonlinear Multivariate Regression Outperforms Several Concisely Designed Neural Networks on Three QSPR Data Sets. - Bono Lucic; Dragan Amic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 2000)

Complexity of Molecules. - Sonja Nikolic; Nenad Trinajstic; Iva Marija Tolic (J. Chem. Inf. Comput. Sci., 2000)

Distance-Related Indexes in the Quantitative Structure-Property Relationship Modeling. - Bono Lui; István Lukovits; Sonja Nikolic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 2001)

Toward Generating Simpler QSAR Models: Nonlinear Multivariate Regression versus Several Neural Network Ensembles and Some Related Methods. - Bono Lucic; Damir Nadramija; Ivan Basic; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 2003)

Nanotubes: Number of Kekulé Structures and Aromaticity. - István Lukovits; Ante Graovac; Erika Kálmán; György Kaptay; Peter I. Nagy; Sonja Nikolic; Jaroslav Sytchev; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 2003)

Atomic Walk Counts of Negative Order. - István Lukovits; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 2003)

Random Walks and Chemical Graph Theory. - Douglas J. Klein; José Luis Palacios; Milan Randic; Nenad Trinajstic (J. Chem. Inf. Model., 2004)

Coding and Ordering Kekulé Structures. - Ante Milicevic; Sonja Nikolic; Nenad Trinajstic (J. Chem. Inf. Model., 2004)

Use of Variable Selection in Modeling the Secondary Structural Content of Proteins from Their Composition of Amino Acid Residues. - Teuta Pilizota; Bono Lucic; Nenad Trinajstic (J. Chem. Inf. Model., 2004)

On reciprocal complementary Wiener number. - Bo Zhou 007; Xiaochun Cai; Nenad Trinajstic (Discret. Appl. Math., 2009)

Topological Complexity of Molecules. - Dusanka Janezic; Ante Milicevic; Sonja Nikolic; Nenad Trinajstic (Encyclopedia of Complexity and Systems Science, 2009)

On the general sum-connectivity index of trees. - Zhibin Du; Bo Zhou 007; Nenad Trinajstic (Appl. Math. Lett., 2011)

Relationship between the eccentric connectivity index and Zagreb indices. - Kinkar Chandra Das; Nenad Trinajstic (Comput. Math. Appl., 2011)

Comparison between the Wiener index and the Zagreb indices and the eccentric connectivity index for trees. - Kinkar Chandra Das; Han-ul Jeon; Nenad Trinajstic (Discret. Appl. Math., 2014)

Calculation of topological molecular descriptors based on degrees of vertices. - Viktor Bojovic; Bono Lucic; Drago Beslo; Karolj Skala; Nenad Trinajstic (MIPRO, 2019)