J. Chem. Inf. Comput. Sci., Vol. 39, No. 4, 1999 9A
Future Papers SMILES Extensions for Pattern Matching and Molecular Transformations: Applications in Chemoinformatics. Richard G. A. Bone, Michael A. Firth, and Richard A. Sykes, Proteus Molecular Design Ltd., Cheshire, U.K. Comparative Spectra Analysis (CoSA): Spectra as Three-Dimensional Molecular Descriptors for the Prediction of Biological Activities. Roberta Bursi, Thuy Dao, Theo Van Wijk, Marcel de Gooyer, Edwin Kellenbach, and Paul Verwer, N.V. Organon and University of Nijmegen, The Netherlands. Alkane Isomer Combinatorics: Stereostructure Enumeration, Graph-Invariant, and Molecular-Property Distributions. L. Bytautas and D. J. Klein, Texas A&M University at Galveston, Galveston, TX, and Institute of Theoretical Physics & Astronomy, Vilnius, Lithuania. Variable Neighborhood Search for Extremal Graphs. 2. Finding Graphs with Extremal Energy. Gilles Caporossi, Dragosˇ CVetkoVic´ , IVan Gutman, and Pierre Hansen, EÄ cole Polytechnique de Montreal, Montreal, Canada, University of Belgrade, Belgrade, Yugoslavia, University of Kragujevac, Kragujevac, Yugoslavia, and GERAD, Montreal, Canada. A Simple Program for Computing Characteristic Polynomials with Mathematica. Gordon G. Cash, U.S. Environmental Protection Agency, Washington, DC. XyM Notation for Electronic Communication of Organic Chemical Structures. Shinsaku Fujita and Nobuya Tanaka, Kyoto Institute of Technology, Kyoto, Japan. XyM Markup Language (XyMML) for Electronic Communication of Chemical Documents Containing Structural Formulas and Reaction Schemes. Shinsaku Fujita, Kyoto Institute of Technology, Kyoto, Japan. Strategic Pooling of Compounds for High Throughput Screening. Mike Hann, Brian Hudson, Xiao Lewell, Rob Lifely, Luke Miller, and Nigel Ramsden, Glaxo Wellcome Research and Development, Medicines Research Centre, Hertfordshire, U.K. Structure Based Prediction of Binding Affinity of Human Immunodeficiency Virus-1 Protease Inhibitors. Santosh S. Kulkarni and Vithal M. Kulkarni, University of Mumbai, Mumbai, India. Algorithms for the Count of Linearly Independent and Minimal Conjugated Circuits in Benzenoid Hydrocarbons. Cheng-de Lin and Gui-qing Fan, Xiamen University, Xiamen, People’s Republic of China. Molecular Distance-Edge Vector (µ): An Extension from Alkanes to Alcohols. Shushen Liu, Hailing Liu, Zhining Xia, Chenzhong Cao, and Zhiliang Li, Chongqing University, Chongqing, Guilin Institute of Technology, and Xiangtan Teacher’s College, Xiangtan, People’s Republic of China. Conformational Coverage by Genetic Algorithm. OVanes Mekenyan, Dimitar DimitroV, Nina NikoloVa, and Stoyan KarabunarlieV, University “Prof. As. Zlatarov”, Bourgas, Bulgaria, Bulgarian Academy of Sciences, Tarnovo, Bulgaria, and Bulgarian Academy of Sciences, Sofia, Bulgaria. Computer-Assisted Thermal Analysis System Founded on Case-Based Reasoning. Takashi Nakayama, Koichi Tanaka, and Yuko Nishimoto, Kanagawa University, Kanagawa, Japan. Estimation of Molecular LFER Descriptors Using a Group Contribution Approach. James A. Platts, Darko Butina, Michael H. Abraham, and Anne Hersey, University College London, London, U.K., and Glaxo Wellcome Research and Development, Ware, U.K. On Topological Indices, Boiling Points, and Cycloalkanes. Gerta Ru¨ cker and Christoph Ru¨ cker, Universita¨t Freiburg, Freiburg, FRG. CI990485E
