J. Chem. Inf. Comput. Sci., Vol. 38, No. 2, 1998 9A
Future Papers An Algorithm for Computing the Automorphism Group of Organic Structures with Stereochemistry and a Measure of Its Efficiency. Krishna K. Agarwal, Louisiana State University in Shreveport, Shreveport, LA. Spiral Coding of Leapfrog Polyhedra. G. Brinkman and P. W. Fowler, Universita¨t Bielefeld, Bielefeld, Germany, and University of Exeter, Exeter, UK. Enumeration of Polyhex Hydrocarbons to h ) 21. Gilles Caporossi and Pierre Hansen, EÄ cole Polytechnique de Montre´al, Canada, and EÄ cole des Hautes EÄ tudes Commerciales, Montre´al, Canada. New Congruence Relations for the Wiener Index of Cata-Condensed Benzenoid Graphs. Audrey A. Dobrynin, Sobolev Institute of Mathematics, Russian Academy of Sciences, Novosibirsk, Russia. Extension of Edge Connectivity Index. Relationships to Line Graph Indices and QSPR Applications. Ernesto Estrada, Nicolais GueVara, and IVan Gutman, Universidad Central de Las Villas, Santa Clara, Cuba, and University of Kragujevac, Kragujevac, Yugoslavia. Isomorphism, Automorphism Partitioning, and Canonical Labeling Can Be Solved in Polynomial-Time for Molecular Graphs. Jean-Loup Faulon, Sandia National Laboratories, Albuquerque, NM. Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling. Jarmo Huuskonen, Marja Salo, and Jyrki Taskinen, University of Helsinki, Helsinki, Finland. Design of Topological Indices. 10. Parameters Based on Electronegativity and Covalent Radius for the Computation of Molecular Graph Descriptors for Heteroatom-Containing Molecules. OVidiu IVanciuc, Teodora IVanciuc, and Alexandru T. Balaban, University “Politehnica” of Bucharest, Bucharest, Romania. Distributions of Distances in Information Strings. Milan Kunz and Zdeneˇ k Ra´ dl, Brno, Czech Republic. New Computer Aided Methods for Revealing Structural Features of Unknown Compounds Using Low Resolution Mass Spectra. Konstantin S. LebedeV and Daniel Cabrol-Bass, Siberian Branch of Russian Academy of Science, Novosibirsk, Russia, and Universite´ de Nice Sophia-Antipolis (UNSA), Parc Valrose, Nice, Cedex, France. RECAPsRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry. Xiao Qing Lewell, Duncan Judd, SteVe Watson, and Mike Hann, Glaxo Wellcome Research and Development, Medicines Research Centre, Stevenage, Hertfordshire, U.K. Approach to Estimation and Prediction for Normal Boiling Point (NBP) of Alkanes Based on a Novel Molecular Distance-Edge (MDE) Vector. Shushen Liu, Chenzhong Cao, and Zhiliang Li, Hunan University, Changsha, P. R. China, Guilin Institute of Technology, Guilin, P. R. China, Xiangtan Teacher’s College, Xiangtan, P. R. China, and University of Science and Technology of China (USTC), Heifei, P. R. China. Determination of Urine Saturation with Computer Program Equil 2 as a Method for Estimation of the Risk of Urolithiasis. Danko MilosˇeVic´ , Danica Batinic´ , Nanad Blau, Pasˇko KonjeVoda, Nikola Sˇ tambuk, Ana VotaVaRaic´ , Vesna Barbaric´ , Ksenija Fumic´ , Vlatko Rumenjak, Ana StaVljenic´ -RukaVina, Ljiljana Nizˇic´ , and Kristina Vrljicˇ ak, Medical Faculty University of Zagreb, and Rugjer Bosˇkovic´ Institute of Science, Zagreb, Croatia, and Childrens’ University Hospital, Zu¨rich, Switzerland. A Formal Comparison between Molecular Quantum Similarity Measures and Indices. DaVid Robert and Ramon Carbo´ -Dorca, University of Girona, Girona, Catalonia, Spain. Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model. DaVid Robert and Ramon Carbo´ -Dorca, University of Girona, Girona, Catalonia, Spain. Systematical Search for New Types of Chemical Interconversions: Mathematical Models and Some Applications. Serge S. Tratch and Nikolai S. ZefiroV, Moscow State University, Moscow, Russia. A Hierarchical Classification Scheme for Chemical Reactions. Serge S. Tratch and Nikolai S. ZefiroV, Moscow State University, Moscow, Russia. Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared Spectra. K. Varmuza, P. N. PencheV, and H. Scsibrany, Technical University of Vienna, Vienna, Getreidemarkt, Austria.
