10A J. Chem. Inf. Comput. Sci., Vol. 38, No. 6, 1998
Future Papers An Efficient Implementation of Distance-Based Diversity Measures Based on K-D Trees. Dimitris K. Agrafiotis and Victor S. LobanoV, 3-Dimensional Pharmaceuticals Inc., Exton, PA. End-User Customized Chemistry Journal Articles. SteVen Bachrach, Anatoli KrassaVine, and Darin C. Burleigh, Northern Illinois University, DeKalb, IL. Validation and Subsequent Development of the Derek Skin Sensitization Rulebase by Analysis of the BGVV List of Contact Allergens. M. D. Barratt and J. J. Langowski, Unilever Research Colworth, Sharnbrook, Bedford, U.K., and University of Leeds, West Yorkshire, U.K. 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. Molecular Diversity and Representativity in Chemical Databases. Denis M. Bayada, Hans Hamersma, and Vincent J. VanGeerestein, N. V. Organon, Oss, The Netherlands. 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. 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. 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. The Most Stable Class of Benzenoid Hydrocarbons and Their Topological Characteristics. Total Resonant Sextet Benzenoids Revisted. 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. Generalized Spectral Moments of the Iterated Line Graphs Sequence. A Novel Approach to QSPR Studies. Ernesto Estrada, Universidad Central de Las Villas, Santa Clara, Villa Clara, Cuba. Binary-QSAR Analysis of Estrogen Receptor Ligands. Hua Gao, Chris Williams, Paul Labute, and Ju¨ rgen Bajorath, MDS Panlabs, Bothell, WA, Chemical Computing Group Inc., Montreal, Quebec, Canada, and University of Washington, Seattle, WA. Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties. Valerie J. Gillet, Peter Willett, John Bradshaw, and Darren V. S. Green, University of Sheffield, Western Bank, Sheffield, U.K., and GlaxoWellcome Research and Development Limited, Stevenage, U.K. Modeling Antileukemic Activity of Benzoquinones with Electrotopological State and Indices. Jonathan D. Gough and Lowell H. Hall, Eastern Nazarene College, Quincy, MA. 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. 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. Chemical Structure and Superconductivity. R. B. King, University of Georgia, Athens, GA. Wavelet Neural Network and Its Application to the Inclusion of β-Cyclodextrin with Benzene Derivatives. Lei Liu and Qing-Xiang Guo, University of Science and Technology of China, Hefei, People’s Republic of China. Multivariate Regression Outperforms Several Robust Architectures of Neural Networks in QSAR Modeling. Bono Lucˇ ic´ and Nenad Trinajstic´ , The Rugjer Bosˇkovic´ Institute, Zagreb, Croatia. Holographic Electron Density Shape Theorem and Its Role in Drug Design and Toxicological Risk Assessment. Paul G. Mezey, Univerisity of Saskatchewan, Saskatoon, SK, Canada.
J. Chem. Inf. Comput. Sci., Vol. 38, No. 6, 1998 11A
Metric Validation and the Receptor-Relevant Subspace Concept. R. S. Pearlman and K. M. Smith, University of Texas, Austin, TX. Modeling Properties with Higher-Level Molecular Connectivity Descriptors. Lionello Pogliani, Universita’ della Calabria, Rende (CS), Italy. A New Topological Index for QSPR of Alkanes. Biye Ren, South China University of Technology, Guangzhou, China. Evaluation and Use of BCUT Descriptors in QSAR and QSPR Studies. DaVid T. Stanton, Proctor & Gamble Pharmaceuticals, Mason, OH. 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. Concept Design of Computer-Aided Study on Traditional Chinese Drugs. Xinjian Yan, Jiaju Zhou, and Zhihong Xu, Chinese Academy of Sciences, Beijing, China.
