J. Chem. Inf. Comput. Sci., Vol. 39, No. 6, 1999 13A
Future Papers Lists of Face-Regular Polyhedra. Gunnar Brinkmann and Michel Deza, Universitat Bielefeld, Bielefeld, Germany, and CNRS and LIENS-DMI, Paris, France. Discrimination and Molecular Design of New Theoretical Hypolipaemic Agents Using the Molecular Connectivity Functions. Rosa Ana Cercos-del-Pozo, Facundo Perez-Gimenez, M. Teresa Salabert-SalVador, and Francisco J. Garcia-March, Universitat de Valencia, Valencia, Spain. A Model for Combinatorial Organic Chemistry. Sherif El-Basil, Faculty of Pharmacy, Cairo, Egypt. CerBeruS: A System Supporting the Sequential Screening Process. Michael F. M. Engels, Theo Thielemans, Danny Verbinnen, Jan P. Tollenaere, and Rudi Verbeeck, Janssen Research Foundation, Turnhoutseweg Beerse, Belgium. Systematic Enumeration of Nonrigid Isomers with Given Ligand Symmetries. Shinsaku Fujita, Kyoto Institute of Technology, Kyoto, Japan. The Multiplicative Version of the Wiener Index. IVan Gutman, Wolfgang Linert, IstVan LukoVits, and Zy¨eljko TomoVic, University of Kragujevac, Kragujevac, Yugoslavia, Technical University of Vienna, Wien, Austria, and Hungarian Academy of Sciences, Budapest, Hungary. Quasi-Orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure. OVidiu IVanciuc, StaVros L. TaraViras, and Daniel Cabrol-Bass, University “Politehnica” of Bucharest, Bucharest, Romania, and GRECFO-LARTIC, University of Nice-Sophia Antipolis, Nice Cedex, France. Use of Artificial Neural Networks in a QSAR Study of Anti-HIV Activity for a Large Group of HEPT Derivatives. M. Jalali-HeraVi and F. Parastar, Sharif University of Technology, Tehran, Iran. Evaluation of Reagent-Based and Product-Based Strategies in the Design of Combinatorial Library Subsets. Eric A. Jamois, Moises Hassan, and MarVin Waldman, Molecular Simulations Inc., San Diego, CA. Structurally Diverse Quantitative Structure-Property Relationship Correlations of Technologically Relevant Physical Properties. Alan R. Katritzky, Uko Maran, Victor S. LobanoV, and Mati Karelson, University of Florida, Gainesville, FL, University of Tartu, Tartu, Estonia, and 3-Dimensional Pharmaceuticals, Inc., Exton, PA. Fullerene Data Mining Using Bibliometrics and Database Tomography. Ronald N. Kostoff, Tibor Braun, Andras Schubert, Darrell Ray Toothman, and James Humenik, Office of Naval Research and NOESIS, Inc., Arlington, VA, Eotvos Lorand University and Library of the Hungarian Academy of Sciences, Budapest, Hungary, and RSIS, Inc., McLean, VA. A Comparative QSAR Study Using Wiener, Szeged, and Molecular Connectivity Indices. Manorama Mandloi, Arun Sikarwar, Nitin S. Sapre, Sneha Karmarkar, and Padmakar V. Khadikar, Model Autonomous Holkar College, Institute of Chemical Sciences, D.A. University, and Laxmi Fumigation and Pest Control Pvt. Ltd., Indore, India. Pharmacophore Fingerprinting. 2. Application to Primary Library Design. Malcolm J. McGregor and SteVen M. Muskal, Affymax Research Institute, Santa Clara, CA. Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries. Stephen D. Pickett, Iain M. McLay, and DaVid E. Clark, Rhoˆne-Poulenc Rorer, Dagenham Research Centre, Dagenham, Essex, U.K. Estimation of Molecular Linear Free Energy Relationship Descriptors by a Group Contribution Approach. 2. Prediction of Partition Coefficients. James A. Platts, Michael H. Abraham, Darko Butina, and Anne Hersey, University College London, London, U.K., and Glaxo Wellcome Research and Development, Ware, U.K. Use of Weighted Least-Squares Splines for Calibration in Analytical Chemistry. Iuliu Sorin Pop, Valeria Pop, Simona Cobzac, and Costel Sarbu, “Babes-Bolyai” University, Cluj-Napoca, Romania. Condensed Representation of DNA Primary Sequences. Milan Randic, National Institute of Chemistry, Ljubljana, Slovenia. On Numerical Characterization of Cyclicity. Tomaz Pisanski, Dejan PlaVsic, and Milan Randic, University of Ljubljana, Ljubljana, The Republic of Slovenia, The Rugjer Boskovic Institute, Zagreb, The Republic of Croatia, and Drake University, Des Moines, IA. On the Relation between W'/W Index, Hyper-Wiener Index, and Wiener Number. Dejan PlaVsic, Nella Lers, and Katica Sertic-Bionda, The Rugjer Boskovic Institute, and University of Zagreb, Zagreb, The Republic of Croatia. Precipitation at Equivalence and Equilibrium: A Method for the Determination of Equilibrium Constants of Reaction between Multideterminant Antigen and Specific Polyclonal Antibodies. Biserka Pokric, The Rugjer Boskovic Institute, Zagreb, The Republic of Croatia.
14A J. Chem. Inf. Comput. Sci., Vol. 39, No. 6, 1999
Is the Dominance of Even Carbon Atom Molecules Odd? T. P. Radhakrishnan, University of Hyderabad, Hyderabad, India. Walk Counts, Labyrinthicity, and Complexity of Acyclic and Cyclic Graphs and Molecules. Gerta Rucker and Christoph Rucker, Universitat Freiburg, Freiburg, Germany. Similarity Searching in Files of 3D Chemical Structures: Analysis of the BIOSTER Database Using 2D Fingerprints and Molecular Field Descriptors. Ansgar Schuffenhauer, Valerie J. Gillet, and Peter Willett, University of Sheffield, Sheffield, U.K. Topological Organic Chemistry. 12. Whole-Molecule Schultz Topological Indices of Alkanes. Harry P. Schultz and Tor P. Schultz, University of Miami, Coral Gables, FL, and Mississippi State University, Mississippi State, MS. Universal Organic Solvent-Water Partition Coefficient Model. Francisco Torrens, Universitat de Vale`ncia, Vale`ncia, Spain. Comparative Evaluation of Chemical and Environmental Online and CD-ROM Databases. Kristina Voigt, Johann Gasteiger, and Rainer Bruggemann, Institut fur Biomathematik und Biometrie, Neuherberg, Germany, Universitat Erlangen-Nurnberg, Erlangen, Germany, and Institut fur Gewasserokologie und Binnenfischerei, Berlin, Germany. Comparison of 2D Fingerprint Types and Hierarchy Level Selection Methods for Structural Grouping Using Ward’s Clustering. D. J. Wild and C. J. Blankley, Warner-Lambert Company, Ann Arbor, MI. An Efficient Projection Protocol for Chemical Databases: Singular Value Decomposition Combined with Truncated-Newton Minimization. Dexuan Xie, Alexander Tropsha, and Tamar Schlick, New York University and the Howard Hughes Medical Institute, New York, NY. Dynamical Process of Excitation Fusion in Polymers. E. H. Zhao, K. Chen, H. Jiang, X. Sun, and Thomas F. George, Fudan University and National Laboratory of Infrared Physics, Shanghai, China, and University of WisconsinsStevens Point, Stevens Point, WI. Novel Variable Selection Quantitative Structure-Property Relationship Approach Based on the k-NearestNeighbor Principle. Weifan Zheng and Alexander Tropsha, University of North Carolina, Chapel Hill, NC. CI990489J
