Generalization of the Graph Center Concept, and Derived Topological Centric Indexes. - Danail Bonchev; Alexandru T. Balaban; Ovanes G. Mekenyan (J. Chem. Inf. Comput. Sci., 1980)

Topological centric coding and nomenclature of polycyclic hydrocarbons. 1. Condensed benzenoid systems (polyhexes, fusenes). - Danail Bonchev; Alexandru T. Balaban (J. Chem. Inf. Comput. Sci., 1981)

Iterative procedure for the generalized graph center in polycyclic graphs. - Danail Bonchev; Ovanes G. Mekenyan; Alexandru T. Balaban (J. Chem. Inf. Comput. Sci., 1989)

The microcomputer OASIS system for predicting the biological activity of chemical compounds. - Ovanes G. Mekenyan; Stoyan Karabunarliev; Danail Bonchev (Comput. Chem., 1990)

Enumeration, Coding, and Complexity of Linear Reaction Mechanisms. - Ekaterina Gordeeva; Danail Bonchev; Dimitar I. Kamenski; Oleg N. Temkin (J. Chem. Inf. Comput. Sci., 1994)

Topological Atomic Charges, Valencies, and Bond Orders. - Danail Bonchev; Ekaterina Gordeeva (J. Chem. Inf. Comput. Sci., 1995)

Relative Atomic Moments as Squared Principal Eigenvector Coefficients. - Danail Bonchev; William A. Seitz; Ekaterina Gordeeva (J. Chem. Inf. Comput. Sci., 1995)

Complementing the proof of the limit of relative atomic moments. - Ivan Gutman; Danail Bonchev; William A. Seitz; Ekaterina Gordeeva (J. Chem. Inf. Comput. Sci., 1995)

Application of Graph Theory to Chemical Kinetics, Part 2. Topological Specificity of Single-Route Reaction Mechanisms. - Oleg N. Temkin; Andrew V. Zeigarnik; Danail Bonchev (J. Chem. Inf. Comput. Sci., 1995)

Application of Graph Theory to Chemical Kinetics, 3. Topological Specificity of Multiroute Reaction Mechanisms. - Andrew V. Zeigarnik; Oleg N. Temkin; Danail Bonchev (J. Chem. Inf. Comput. Sci., 1996)

Overall Connectivities/Topological Complexities: A New Powerful Tool for QSPR/QSAR. - Danail Bonchev (J. Chem. Inf. Comput. Sci., 2000)

The Overall Wiener Index-A New Tool for Characterization of Molecular Topology. - Danail Bonchev (J. Chem. Inf. Comput. Sci., 2001)

Topological Analysis of Long-Chain Branching Patterns in Polyolefins. - Danail Bonchev; Eric Markel; Armen Dekmezian (J. Chem. Inf. Comput. Sci., 2001)

Novel Chirality Descriptors Derived from Molecular Topology. - Alexander Golbraikh; Danail Bonchev; Alexander Tropsha (J. Chem. Inf. Comput. Sci., 2001)

Novel ZE-Isomerism Descriptors Derived from Molecular Topology and Their Application to QSAR Analysis. - Alexander Golbraikh; Danail Bonchev; Alexander Tropsha (J. Chem. Inf. Comput. Sci., 2002)

Vertex-weightings for distance moments and thorny graphs. - Douglas J. Klein; Tomislav Doslic; Danail Bonchev (Discret. Appl. Math., 2007)

From Molecular to Biological Structure and Back. - Danail Bonchev; Gregory A. Buck (J. Chem. Inf. Model., 2007)

Path-a-Way: A Strategy for Network Analysis of Microarray Data. - Dhivya Arasappan; Aurélien Mazurie; Joao Alves; Danail Bonchev; Gregory A. Buck (BMEI (1), 2008)

Data-driven Networking Reveals 5-Genes Signature for Early Detection of Lung Cancer. - Vladimir Kuznetsov; Sterling Thomas; Danail Bonchev (BMEI (1), 2008)

Phylogenetic distances are encoded in networks of interacting pathways. - Aurélien Mazurie; Danail Bonchev; Benno Schwikowski; Gregory A. Buck (Bioinform., 2008)

Computational Chemistry, Introduction to Complexity. - Danail Bonchev (Encyclopedia of Complexity and Systems Science, 2009)

Evolution of metabolic network organization. - Aurélien Mazurie; Danail Bonchev; Benno Schwikowski; Gregory A. Buck (BMC Syst. Biol., 2010)