Volume 78 (2017) number 3

Review

• L. A. Baumes, J. V. de Julian-Ortiz: Sampling Methodologies for High Throughput Materials Discovery, pp. 511-526

Computer Chemistry

• J. A. Lazzus: Development of an ANN Based Additive-Constitutive Method for Estimating Viscosity ln eta(T) of Ionic Liquids Using Particle Swarm Optimization, pp. 529-564
• L. Tarko: Mathematical Function for the Identification of Molecular Fragments as Chemical Groups, pp. 565-580
• N. Basic, D. Bokal, T. Boothby, J. Rus: An Algebraic Approach to Enumerating Non-Equivalent Double Traces in Graphs, pp. 581-594
• S. Fujita: Computer-Oriented Representations of RS-Stereoisomeric Groups, Stereoisomeric Groups, and Isoskeletal Groups for Enumerating Allene Derivatives by Using Cycle Indices with Chirality Fittingness (CI-CFs) Calculated by the GAP System, pp. 595-632
• S. Fujita: Hierarchical Enumeration of Oxirane Derivatives by Using Combined-Permutation Representations, pp. 633-664
• A. Ilic, M. Ilic: On Some Algorithms for Computing Topological Indices of Chemical Graphs, pp. 665-674
• M. Crepnjak, N. Tratnik: The Edge-Wiener Index, the Szeged Indices and the PI Index of Benzenoid Systems in Sub-Linear Time, pp. 675-688
• P. Hansen, A. Hertz, C. Sellal, D. Vukicevic, M. Aouchiche, G. Caporossi: Edge Realizability of Connected Simple Graphs, pp. 689-712
• G. Brinkmann, D. Mourisse: A Generation Algorithm for Nanojoins, pp. 713-736

Mathematical Biochemistry

• J. W. R. Martini: On the Relation of Different Definitions of Cooperative Binding for Systems with Two Binding Sites, pp. 739-752
• Erratum, pp. 753-753