8A J. Chem. Inf. Comput. Sci., Vol. 38, No. 5, 1998
Future Papers Properties of New Orthogonal Graph Theoretical Invariants in Structure-Property Correlations. Oswaldo Araujo and Daniel A. Morales, Universidad de los Andes, Me´rida, Venezuela. End-User Customized Chemistry Journal Articles. SteVen Bachrach, Anatoli KrassaVine, and Darin C. Burleigh, Northern Illinois University, DeKalb, IL. Prediction of Complement-Inhibitory Activity of Benzamidines Using Topological and Geometric Parameters. Subhash C. Basak, Brian D. Gute, and Shibnath Ghatak, The University of Minnesota, Duluth, MN, and Tufts University, Medford, MA. Use of Atomic and Bond Parameters in a Spectral Representation of a Molecule for Physical Property Determination. Edward S. Blurock, Johannes Kepler University, Linz, Austria. A Theoretical Concept To Rank Environmentally Significant Chemicals. Rainer Bru¨ ggemann and Hans-Georg Bartel, Institute of Freshwater Ecology and Inland Fisheries, Berlin, Germany, and Humboldt University, Berlin, Germany. New QSAR Methods Applied to Structure-Activity Mapping and Combinatorial Chemistry. Frank R. Burden and DaVid A. Winkler, Monash University, Clayton, Australia, and CSIRO Division of Molecular Science, Clayton South MDC, Clayton, Australia. Chemical Combinatorics for Alkane-Isomer Enumeration and More. L. Bytautas and D. J. Klein, Texas A&M University at Galveston, Galveston, TX. Recursive Partitioning Analysis of a Large Structure-Activity Data Set Using Three-Dimensional Descriptors. Xin Chen, Andrew Rusinko III, and S. Stanley Young, University of North Carolina at Chapel Hill, Chapel Hill, NC, and Glaxo Wellcome Inc., Research Triangle Park, NC. Substituent Effects on Thermochemical Properties of Free Radicals. New Substituent Scales for C-Centered Radicals. Artem CherkasoV and Mats Jonsson, Royal Institute of Technology, Stockholm, Sweden. Virtual Compound Libraries: A New Approach to Decision Making in Molecular Discovery Research. Richard D. Cramer, DaVid E. Patterson, Robert D. Clark, Farhad Soltanshahi, and Michael S. Lawless, Tripos, Inc., St. Louis, MO. Hydrogen Bonding Parameters for QSAR: Comparison of Indicator Variables, Hydrogen Bond Counts, Molecular Orbital, and Other Parameters. J. C. Dearden and T. Ghafourian, Liverpool John Moores University, Liverpool, England. A Guided Monte Carlo Search Algorithm for Global Optimization of Multidimensional Functions. Rupika Delgoda and James Douglas Pulfer, University of Warwick, Coventry, U.K. Directed toward the Development of a Unified Structure Theory of Polycyclic Conjugated Hydrocarbons: The Aufbau Principle in Structure/Similarity Studies. Jerry Ray Dias, University of Missouri, Kansas City, MO. Heats of Adsorption of Hydrocarbons on Zeolite Surfaces: A Mathematical Approach. Lalji Dixit and T. S. R. Prasada Rao, Indian Institute of Petroleum, Dehra dun, India. Empirical Investigation on the Reproducibility of 13C NMR Shift Values. Michael Grzonka and Antony N. DaVies, Bruker Instruments Inc., Billerica, MA, and Institut fu¨r Spektrochemie und Angewandte Spektroskopie, Dortmund, Germany. GA Strategy for Variable Selection in QSAR Studies: Application of GA-Based Region Selection to a 3DQSAR Study of Acetylcholinesterase Inhibitors. Kiyoshi Hasegawa, Toshiro Kimura, and Kimito Funatsu, Tokyo Research Laboratories, Kowa Co. Ltd., Noguchi-cho, Higashimurayama, Tokyo, Japan, and Knowledgebased Information Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi, Japan. Computational Neural Networks for Resolving Nonlinear Multicomponent Systems Based on Chemiluminescence Methods. Ce´ sar HerVa´ s, Sebastia´ n Ventura, Manuel SilVa, and Dolores Pe´ rez-Bendito, University of Co´rdoba, Co´rdoba, Spain. Topological Index and Thermodynamic Properties. 5. How Can We Explain the Topological Dependency of Thermodynamic Properties of Alkanes with the Topology of Graphs? Haruo Hosoya, M. Gotoh, M. Murakami, and S. Ikeda, Ochanomizu University, Bunkyo-ku, Tokyo, Japan. Correlation and Prediction of the Refractive Indices of Polymers by QSPR. Alan R. Katritzky, SuleV Sild, and Mati Karelson, University of Florida, Gainesville, FL, and University of Tartu, Tartu, Estonia. Chemical Structure and Superconductivity. R. B. King, University of Georgia, Athens, GA. Nonadditive Interactions in Trimers Containing H2, N2, and O2. Sean A. C. McDowell, University of the West Indies, Bridgetown, Barbados.
J. Chem. Inf. Comput. Sci., Vol. 38, No. 5, 1998 9A
Real-Number Vertex Invariants and Schultz-Type Indices Based on Eigenvectors of Adjacency and Distance Matrices. M. Medeleanu and A. T. Balaban, “Politehnica” University, Timisoara, Romania, and “Politehnica” University, Bucharest, Romania. Inhibition of Monoamine Oxidase by Pirlindole Analogues: 3D-QSAR and CoMFA Analysis. A. E. MedVedeV, A. V. VeseloVsky, V. I. ShVedoV, O. V. TikhonoVa, T. A. MoskVitina, O. A. FedotoVa, L. N. AxenoVa, N. S. Kamyshanskaya, A. Z. Kirkel, and A. S. IVanoV, Russian Academy of Medical Sciences, Moscow, Russia. Chemistry Space Metrics in Diversity Analysis, Library Design, and Compound Selection. Paul R. Menard, Jonathan S. Mason, Isabelle Morize, and Susanne Bauerschmidt, Rhoˆne-Poulenc Rorer, Collegeville, PA. Holographic Electron Density Shape Theorem and Its Role in Drug Design and Toxicological Risk Assessment. Paul G. Mezey, Univerisity of Saskatchewan, Saskatoon, SK, Canada. Molecular Modeling Studies of Human A3 Adenosine Antagonists: Structural Homology and Receptor Docking. Stefano Moro, An-Hu Li, and Kenneth A. Jacobson, National Institute of Diabetes, Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD. Computer-Based Structure Determination: Then and Now. Morton E. Munk, Arizona State University, Tempe, AZ. Algorithm for the Direct Enumeration of Chiral and Achiral Skeletons of a Homosubstituted Derivative of a Monocyclic Cycloalkane with a Large and Factorizable Ring Size n. Robert M. Nemba and Alexandru T. Balaban, Univerisity of Yaounde I, Cameroon, and Polytechnic University, Bucharest, Romania. Modeling Properties with Higher-Level Molecular Connectivity Descriptors. Lionello Pogliani, Universita’ della Calabria, Rende (CS), Italy. VChemLab: A Virtual Chemistry Laboratory. The Storage, Retrieval, and Display of Chemical Information Using Standard Internet Tools. Henry S. Rzepa and Alan P. Tonge, Imperial College, London, UK. The Application of Chemical Multipurpose Internet Mail Extensions (Chemical MIME) Internet Standards to Electronic Mail and World Wide Web Information Exchange. Henry S. Rzepa, Peter Murray-Rust, and Benjamin J. Whitaker, Imperial College, London, University of Nottingham, Nottingham, and University of Leeds, Leeds, UK. Thesis: Fast Partial-Differential Synthesis of the Matching Polynomial of C72-100. James M. SalVador, Adrian Hernandez, Adriana Beltran, Richard Duran, and Anthony Mactutis, University of Texas at El Paso, El Paso, TX. Chemical Information Instruction in Academe: Recent and Current Trends. Arleen N. SomerVille, University of Rochester, Rochester, NY. Three-Dimensional Quantitative Structure-Activity Relationship (QSAR) and Receptor Mapping of Cytochrome P-45014rDM Inhibiting Azole Antifungal Agents. Tanaji T. Talele and Vithal M. Kulkarni, University of Mumbai, Mumbai, India. Comparative Molecular Field Analysis of Heterocyclic Monoazo Dye-Fiber Affinities. Simona Timofei and Walter M. F. Fabian, Romanian Academy, Timisoara, Romania, and Karl-Franzens Universita¨t Graz, Graz, Austria. Chemical Similarity Searching. Peter Willett, John M. Barnard, and Geoffrey M. Downs, University of Sheffield and Barnard Chemical Information, Sheffield, UK.
