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ORCIDJournal of Chemical Information and Computer Sciences, Volume 34
Volume 34, Number 1, January 1994
- Ivar Ugi, Johannes Bauer, Carola Blomberger, Josef Brandt, Andreas Dietz, Eric Fontain, Bernhard Gruber, Annette v. Scholley-Pfab, Antje Senff, Natalie Stein:
Models, concepts, theories, and formal languages in chemistry and their use as a basis for computer assistance in chemistry. 3-16 - George D. Purvis:
The chemical sample: A fundamental object for molecular modeling. 17-21 - Sandor Barcza:
Far beyond the structure diagram. Increasing the dimensionality of chemical information retrieval: structure .fwdarw. transport .fwdarw. transformation .fwdarw. energetics .fwdarw. logic and control [networks]. 22-31 - Martin G. Hicks:
CD-ROM chemical databases: The influence of data structure and graphical user interfaces on information access. 32-38 - John D. Holliday, Geoffrey M. Downs, Valerie J. Gillet, Michael F. Lynch, Winfried Dethlefsen:
Evaluation of the screening stages of the Sheffield Research Project on Computer Storage and Retrieval of Generic Chemical Structures in Patents. 39-46 - Robert D. Brown, Geoffrey M. Downs, Gareth Jones, Peter Willett:
Hyperstructure model for chemical structure handling: Techniques for substructure searching. 47-53 - Peter J. Artymiuk, Helen M. Grindley, Andrew R. Poirrette, David W. Rice, Elizabeth C. Ujah, Peter Willett:
Identification of .beta.-sheet motifs, of .psi.-loops, and of patterns of amino acid residues in three-dimensional protein structures using a subgraph-isomorphism algorithm. 54-62 - Robert D. Brown, Gareth Jones, Peter Willett, Robert C. Glen:
Matching two-dimensional chemical graphs using genetic algorithms. 63-70 - Clemens Jochum:
The Beilstein Information System is not a reaction database, or is it? 71-73 - J. Royce Rose, Johann Gasteiger:
HORACE: An automatic system for the hierarchical classification of chemical reactions. 74-90 - Rainer Herges:
Coarctate transition states: the discovery of a reaction principle. 91-102 - N. D. Wright, David C. Povey, Brendan J. Howlin
:
Development of a new data format to allow the study of structural diversity and ligand behavior in transition metal coordination complexes retrieved from the Cambridge Structural Database. 103-108 - Wolf-Dietrich Ihlenfeldt, Yoshimasa Takahashi, Hidetsugu Abe, Shin-ichi Sasaki:
Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility. 109-116 - Rainer Moll:
Context description in synthesis planning. 117-119 - Guido Sello:
Lilith: From childhood to adolescence. 120-129 - William Fisanick, Alan H. Lipkus, Andrew Rusinko III:
Similarity searching on CAS Registry substances. 2. 2D structural similarity. 130-140 - Peter A. Bath, Andrew R. Poirrette, Peter Willett, Frank H. Allen:
Similarity searching in files of three-dimensional chemical structures: Comparison of fragment-based measures of shape similarity. 141-147 - Philip N. Judson:
Rule induction for systems predicting biological activity. 148-153 - M. P. Payne, P. T. Walsh:
Structure-activity relationships for skin sensitization potential: Development of structural alerts for use in knowledge-based toxicity prediction systems. 154-161 - Howard Lentzner, Amal Moulik:
A systematic method for using structural and numeric databases to choose compounds of potentially high nonlinear optical susceptibility. 162-166 - Yoshimasa Takahashi:
Automatic extraction of ring substructures from a chemical structure. 167-170 - Thierry Laidboeur, Isabelle Laude, Daniel Cabrol-Bass, Ivan P. Bangov:
Employment of fuzzy information derived from spectroscopic data toward reducing the redundancy in the process of structure generation. 171-178 - Romuald I. Zalewski, Jan Jasiczak:
Structure-property relationship in sweeteners. 179-183 - Thomas E. Moock, Douglas R. Henry, Ali G. Ozkabak, Mita Alamgir:
Conformational searching in ISIS/3D databases. 184-189 - Tad Hurst:
Flexible 3D searching: The directed tweak technique. 190-196 - David E. Clark, Gareth Jones, Peter Willett, Peter W. Kenny, Robert C. Glen:
Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching. 197-206 - Valerie J. Gillet, William Newell, Paulina Mata, Glenn J. Myatt, Sandor Sike, Zsolt Zsoldos, A. Peter Johnson:
SPROUT: Recent developments in the de novo design of molecules. 207-217 - Mark G. Bures, Elizabeth A. Danaher, Jerry DeLazzer, Yvonne C. Martin:
New molecular modeling tools using three-dimensional chemical substructures. 218-223 - David J. Wild, Peter Willett:
Similarity searching in files of three-dimensional chemical structures. Implementation of atom mapping on the distributed array processor DAP-610, the MasPar MP-1104, and the connection machine CM-200. 224-231
Volume 34, Number 2, March 1994
- Julian M. Ivanov, Stoyan Karabunarliev, Ovanes G. Mekenyan:
3DGEN: A system for exhaustive 3D molecular design proceeding from molecular topology. 234-243 - Paul G. Mezey:
Iterated similarity sequences and shape ID numbers for molecules. 244-247 - Jerry Ray Dias:
Algorithm for generating fullerenes by circumscribing. 248-251 - Robert W. Zoellner, John F. Krebs, David M. Browne:
Violently Twisted and Strained Organic Molecules: A Descriptor System for Simple Coronoid Aromatics with a Moebius Half-Twist and Semiempirical Calculations on the Moebius Analogs of Coronene. 252-258 - M. Lawrence Ellzey Jr.:
Irreducible tensor bases for the Frobenius algebra of a finite unitary group. 259-263 - Patrick W. Fowler, Sarah J. Austin:
Closed-shell carbon frameworks: Leapfrog fullerenes and decorated spheriphane hydrocarbons. 264-269 - Subhash C. Basak, Sharon Bertelsen, Gregory D. Grunwald:
Application of graph theoretical parameters in quantifying molecular similarity and structure-activity relationships. 270-276 - Milan Randic, Alexander F. Kleiner, Luz M. DeAlba:
Distance/Distance Matrixes. 277-286 - István Lukovits:
Toward Reconstruction of Trees by Using Graph Invariants. 287-289 - Marko Razinger, Marko Perdih:
Computerized Stereochemistry: Coding and Naming Configurational Stereoisomers. 290-296 - Pierre Hansen, Maolin Zheng:
Bonds Fixed by Fixing Bonds. 297-304 - Pierre Hansen, Maolin Zheng:
Numerical Bounds for the Perfect Matching Vectors of a Polyhex. 305-308 - Edgar Eduardo Daza C., José-Luis Villaveces:
Upper and lower bounds for molecular energies. 309-313 - Ray Hefferlin:
Matrix-Product Periodic Systems of Molecules. 314-317 - Ivan P. Bangov:
Structure Generation from a Gross Formula. 7. Graph Isomorphism: A Consequence of the Vertex Equivalence. 318-324 - Seymour B. Elk:
Orismology (The Science of Defining Words) and the Geometrical Foundations of Chemistry. 2. Inherent Topology. 325-330 - Seymour B. Elk, Ivan Gutman:
Further Properties Derivable from the Matula Number of an Alkane. 331-334 - I. F. Shadrin, M. R. Sharafutdinov, A. M. Elyashevich:
Computer Simulation of a Hard-Rod System: Structural Transitions and Clusters. 335-338 - Xiaofeng Guo, Milan Randic:
Recursive Method for Enumeration of Linearly Independent and Minimal Conjugated Circuits of Benzenoid Hydrocarbons. 339-348 - Jun Xu, Philip N. Borer:
Rigorous Deduction Theory for Assignment of Multidimensional NMR Spectra Using the Independent Spin Coupling Network Approach. 349-356 - Peter E. John:
Calculating the Cell Polynomial of Catacondensed Polycyclic Hydrocarbons. 357-360 - Milan Randic, Xiaofeng Guo, T. Oxley, H. K. Krishnapriyan, L. Naylor:
Wiener Matrix Invariants. 361-367 - Nenad Trinajstic, Darko Babic, Sonja Nikolic, Dejan Plavsic, Dragan Amic, Zlatko Mihalic:
The Laplacian matrix in chemistry. 368-376 - Yuansheng Jiang, Hongyao Zhu:
Evaluation of Level Pattern Indices. 377-380 - Jerome Karle:
Applications of Mathematics to Structural Chemistry. 381-390 - Damijana Kerzic, Borka Jerman-Blazic, Vladimir Batagelj:
Comparison of three different approaches to the property prediction problem. 391-394 - Tomaz Pisanski, Janez Zerovnik:
Weights on Edges of Chemical Graphs Determined by Paths. 395-397 - Alexandru T. Balaban:
Local versus Global (i.e. Atomic versus Molecular) Numerical Modeling of Molecular Graphs. 398-402 - Milan Randic, Zlatko Mihalic, Sonja Nikolic, Nenad Trinajstic:
Graphical bond orders: Novel structural descriptors. 403-409 - R. B. King:
The role of toroidal and cylindrical chemical bonding manifolds in coinage metal and mercury clusters. 410-417 - Binglan Liu, Deshan Kang:
Ab Initio Study of Stability and Strain of Cyclopropane and Its Derivatives. 418-420 - Krishnan Balasubramanian:
Exhaustive Generation and Analytical Expressions of Matching Polynomials of Fullerenes C20-C50. 421-427 - Haruo Hosoya, Umpei Nagashima, Sachiko Hyugaji:
Topological Twin Graphs. Smallest Pair of Isospectral Polyhedral Graphs with Eight Vertices. 428-431 - Horst Sachs:
Graph Theoretical Means for Calculating Kekule and Hueckel Parameters in Benzenoid and Related Systems. 432-435 - Ekaterina Gordeeva, Danail Bonchev, Dimitar I. Kamenski, Oleg N. Temkin:
Enumeration, Coding, and Complexity of Linear Reaction Mechanisms. 436-445 - Dennis H. Rouvray:
Similarity studies. 1. The necessity of analogies in the development of science. 446-452 - Douglas J. Klein:
Elemental Benzenoids. 453-459
Volume 34, Number 3, May 1994
- Krishna K. Agarwal, Herbert L. Gelernter:
A Computer-Oriented Linear Canonical Notational System for the Representation of Organic Structures with Stereochemistry. 463-479 - Vince Hamner, Ching-Wan Yip, Raymond E. Dessy:
E-mail as a Tool for Sharing Binary Files among Scientists. 480-484 - James L. Davis, Efrat Livny:
Retrieval of Japanese scientific and technical information from the JICST online information system. 485-490 - Paulina Mata, Ana M. Lobo, Chris Marshall, A. Peter Johnson:
Implementation of the Cahn-Ingold-Prelog System for Stereochemical Perception in the LHASA Program. 491-504 - Sydney R. Hall, Nick Spadaccini:
The STAR File: detailed specifications. 505-508 - Nick Spadaccini, Sydney R. Hall:
Star-Base: Accessing STAR File Data. 509-516 - Peter Kuhn, René Deplanque, Ekkehard Fluck:
Criteria of Quality Assessment for Scientific Databases. 517-519 - Jorge Gálvez, Ramón García-Domenech, M. Teresa Salabert-Salvador, Rosa Soler:
Charge Indexes. New Topological Descriptors. 520-525 - Irene Luque Ruiz, Jrene L. Cruz Soto, Miguel Ángel Gómez-Nieto:
Computer translation of inorganic chemical nomenclature to a dynamic abstract data structure. 526-533 - Christoph Rücker, Gerta Rücker:
Mathematical Relation between Extended Connectivity and Eigenvector Coefficients. 534-538 - G. Celebre, G. De Luca, M. Longeri, Emilia Sicilia:
Graphical Interactive Strategy for the Analysis of NMR Spectra in Liquid Crystalline Phases. 539-545 - Ivan P. Bangov, Svetlana Simova, Daniel Cabrol-Bass, Isabelle Laude:
Computer-assisted structure generation from a gross formula. 6. Reducing the structural redundancy by the employment of 2D NMR spectral information. 546-557 - T. Zhou, Thomas L. Isenhour, John C. Marshall:
Object-Oriented Programming Applied to Laboratory Automation. 3.The Standard Robot Interface Protocol for the Analytical Director. 558-569 - Manuel Pastor, Julio Alvarez-Builla:
New Developments of EDISFAR Programs. Experimental Design in QSAR Practice. 570-575 - Zvi Boger, Zeev Karpas:
Use of Neural Networks for Quantitative Measurements in Ion Mobility Spectrometry (IMS). 576-580 - Stephen E. Stein, Robert L. Brown:
Estimation of normal boiling points from group contributions. 581-587 - Michael A. Siani, David Weininger, Jeffrey M. Blaney:
CHUCKLES: A method for representing and searching peptide and peptoid sequences on both monomer and atomic levels. 588-593 - Kenji Okada:
Application of Direct Phasing Methods for Crystal Structure Analysis Using PCs. 2. Automation of the Symbolic-Addition Method. 594-600 - Todd M. Nelson, Peter C. Jurs:
Prediction of Aqueous Solubility of Organic Compounds. 601-609 - M. Leonor Contreras, Roberto Rozas, Ricardo Valdivia:
Exhaustive Generation of Organic Isomers. 3. Acyclic, Cyclic, and Mixed Compounds. 610-616 - Michael E. Sigman, Stephen S. Rives:
Prediction of Atomic Ionization Potentials I-III Using an Artificial Neural Network. 617-620 - Krishnan Balasubramanian:
Computational Techniques for the Automorphism Groups of Graphs. 621-626 - Stephen R. Heller, Douglas W. Bigwood, Willie E. May:
Expert Systems for Evaluating Physicochemical Property Values. 1. Aqueous Solubility. 627-636 - Seymour B. Elk:
A Simplified Algorithm Using Base 5 Numbers To Assign Canonical Names to Cata-Condensed Polybenzenes. 637-640 - Dusanka Janezic, Roman Trobec:
Parallelization of an Implicit Runge-Kutta Method for Molecular Dynamics Integration. 641-646 - Lemont B. Kier, Chao-Kun Cheng:
A Cellular Automata Model of Water. 647-652 - Todd M. Miller, Jan-Willem Boiten, Martin A. Ott, Jan H. Noordik:
Organic reaction database translation from REACCS to ORAC. 653-660 - Andrew R. Leach:
An Algorithm To Directly Identify a Molecule's "Most Different" Conformations. 661-670 - Charles H. Reynolds:
Combined Molecular Orbital and Group Additivity Approach for Modeling Thermochemical Properties: Application to Hydrazides. 671-675
Volume 34, Number 4, July 1994
- Michel Carabedian, Jacques-Emile Dubois:
Inferring Extended Virtual Knowledge from an EPIOS Conversion Graph of Overlapping Substructures. 701-706 - Peter Langer, Arthur J. C. Wilson:
Online User Needs in Chemical Information. 707-713 - Andreas Barth, Ulla Westermann, Beate Pasucha:
Messenger and S4: A Comparison of Structure Search Systems. 714-722 - Jean-Marc Nuzillard:
Quick Method for Anti-Bredt Structure Detection. 723-724 - St. Thomas, D. Stroehl, Erich Kleinpeter:
Computer Application of an Incremental System for Calculating 13C NMR Spectra of Aromatic Compounds. 725-729 - Huixiao Hong, Xin Xinquan:
ESSESA: An Expert System for Structure Elucidation from Spectra. 4. Canonical Representation of Structures. 730-734 - Kimito Funatsu, Binod P. Acharya, Shin-ichi Sasaki:
Application of a digital 1H-NMR spectrum to the survival test of substructures and the assignment test. 735-744 - Kimito Funatsu, Minoru Nishizaki, Shin-ichi Sasaki:
Introduction of NOE data to an automated structure elucidation system, CHEMICS. Three-dimensional structure elucidation using the distance geometry method. 745-751 - Gilles Klopman, Ju-Yun Li, Shaomeng Wang, Mario Dimayuga:
Computer Automated log P Calculations Based on an Extended Group Contribution Approach. 752-781 - Pierre Hansen, Brigitte Jaumard, Catherine Lebatteux, Maolin Zheng:
Coding Chemical Trees with the Centered N-tuple Code. 782-790 - Ralph Gautzsch, Peter Zinn:
List Operations on Chemical Graphs. 5. Implementation of Breadth-First Molecular Path Generation and Application in the Estimation of Retention Index Data and Boiling Points. 791-800 - Lionello Pogliani:
On a Graph Theoretical Characterization of Cis/Trans Isomers. 801-804 - Chen Peng, Shengang Yuan, Chongzhi Zheng, Yongzheng Hui:
Efficient Application of 2D NMR Correlation Information in Computer-Assisted Structure Elucidation of Complex Natural Products. 805-813 - Chen Peng, Shengang Yuan, Chongzhi Zheng, Yongzheng Hui, Houming Wu, Kan Ma, Xiuwen Han:
Application of Expert System CISOC-SES to the Structure Elucidation of Complex Natural Products. 814-819 - Torsten Alvager, George Graham, David Hutchison, James Westgard:
Standard Genetic Code Degeneracies from Maximum Information Calculations. 820-821 - Renzo Balducci, Robert S. Pearlman:
Efficient exact solution of the ring perception problem. 822-831 - Andrei A. Gakh, Elena G. Gakh, Bobby G. Sumpter, Donald W. Noid:
Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds. 832-839 - Chang-Yu Hu, Lu Xu:
A new scheme for assignment of a canonical connection table. 840-844 - Takashi Nakayama:
Semantic dictionary for substructure matching of chemical structures with general descriptors. 845-853 - David Rogers, Anton J. Hopfinger:
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships. 854-866 - Seema Mendiratta, A. K. Madan:
Structure-Activity Study on Antiviral 5-Vinylpyrimidine Nucleoside Analogs Using Wiener's Topological Index. 867-871 - Wolf-Dietrich Ihlenfeldt:
An efficient approach toward a flexible and general knowledge definition and program control language system for a synthesis-planning program. 872-880 - Paul R. Sebastian, David E. Booth, Michael Y. Hu:
Using Polynomial Smoothing and Data Bounding for the Detection of Adverse Process Changes in a Chemical Process. 881-889 - Bruno Bienfait:
Applications of High-Resolution Self-Organizing Maps to Retrosynthetic and QSAR Analysis. 890-898 - István Lukovits, Wolfgang Linert:
A Novel Definition of the Hyper-Wiener Index for Cycles. 899-902 - Jon Brunvoll, Bjørg N. Cyvin, Sven J. Cyvin:
Mono-Q-Polyhexes with Q Larger than 6: Polygonal Systems Representing a Class of Polycyclic Conjugated Hydrocarbons. 903-911 - Ivan Gutman:
Frequency of even and odd numbers in distance matrixes of bipartite graphs. 912-914 - Alan K. Long, John C. Kappos:
Computer-assisted synthetic analysis. Performance of tactical combinations of transforms. 915-921 - Alan K. Long, John C. Kappos, Stewart D. Rubenstein, Gary E. Walker:
Computer-assisted synthetic analysis. A generalized procedure for subgoal transform selection based on a two-dimensional pattern language. 922-933 - Lingran Chen, Wolfgang Robien:
Application of the Maximal Common Substructure Algorithm to Automatic Interpretation of 13C-NMR Spectra. 934-941 - Seymour B. Elk:
Prime Number Assignment to a Hexagonal Tessellation of a Plane That Generates Canonical Names for Peri-Condensed Polybenzenes. 942-946 - Leanne M. Egolf, Matthew D. Wessel, Peter C. Jurs:
Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure. 947-956 - Milan Kunz:
Distance Matrixes Yielding Angles between Arcs of the Graphs. 957-959 - Wolfgang R. Mueller, Klaus Szymanski, Jan V. Knop, Nenad Trinajstic:
Bit-tuple Notation for Trees. 960-961 - Harold E. Helson, William L. Jorgensen:
Computer-Assisted Mechanistic Evaluation of Organic Reactions. 25. Structure Diagram Positioning. 962-971 - Sachiko Okada, Kenji Okada:
Application of automated structure analysis to some organic compounds using PCs. 3. Crystallographic programs. 972-975 - Raúl E. Valdés-Pérez:
Heuristics for systematic elucidation of reaction pathways. 976-983 - Christoph Klawun, Charles L. Wilkins:
A novel algorithm for local minimum escape in back-propagation neural networks: application to the interpretation of matrix isolation infrared spectra. 984-993 - Nikolai S. Zefirov, Igor I. Baskin, Vladimir A. Palyulin:
SYMBEQ Program and Its Application in Computer-Assisted Reaction Design. 994-999 - Jens Sadowski, Johann Gasteiger, Gerhard Klebe:
Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures. 1000-1008 - Richard B. Davidson, S. Scott Zimmerman:
Evaluation of Two Procedures for Selecting Starting Conformations for Energy Minimization of Peptides. 1009-1013 - B. Jin, Anton J. Hopfinger:
A Proposed Common Spatial Pharmacophore and the Corresponding Active Conformations of Some TxA2 Receptor Antagonists. 1014-1021 - Scott E. Van Bramer:
Review of Lotus 123 Release 4 for Windows. 1022-1023 - Mary L. Swift:
GraphPad InPlot. 1024 - Michelle Miller Francl:
AMPAC 4.5. 1025 - Stephen R. Heller:
SpecTool. 1026 - Russell Beale, Tom Jackson, Aly A. Farag:
Book Reviews: Neutral Computing: An Introduction. 1027 - Yoshimasa Takahashi:
Automatic extraction of ring substructures from a chemical structure. [Erratum to document cited in CA120: 76588]. 1028 - Peter E. John:
Calculating the cell polynomial of catacondensed polycyclic hydrocarbons. [Erratum to document cited in CA120: 190658]. 1028 - Philip N. Judson:
Rule induction for systems predicting biological activity. [Erratum to document cited in CA120: 76590]. 1028 - Philip N. Judson:
Structural similarity searching using descriptors developed for structure-activity relationship studies. [Erratum to document cited in CA117: 233063]. 1028
Volume 34, Number 5, September 1994
- Edward C. Kirby:
Sensitivity of Topological Indexes to Methyl Group Branching in Octanes and Azulenes, or What Does a Topological Index Index? 1030-1035 - M. Victor Wickerhauser:
Large-Rank Approximate Principal Component Analysis with Wavelets for Signal Feature Discrimination and the Inversion of Complicated Maps. 1036-1046 - Miquel Solà, Jordi Mestres, Miquel Duran, Ramon Carbó:
Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd). 1047-1053 - Kresimir Rupnik, Leo Klasinc, M. Varma, J. Battista, Sean P. McGlynn:
Lesion Spectra: Radiation Signatures and Biological Gateways. 1054-1063 - Mircea V. Diudea:
Molecular Topology. 16. Layer Matrixes in Molecular Graphs. 1064-1071 - Mircea V. Diudea, Mihai Topan, Ante Graovac:
Molecular Topology. 17. Layer Matrixes of Walk Degrees. 1072-1078 - István Lukovits:
Formulas for the Hyper-Wiener Index of Trees. 1079-1081 - Andrey A. Dobrynin, Amide A. Kochetova:
Degree Distance of a Graph: A Degree Analog of the Wiener Index. 1082-1086 - Ivan Gutman:
Selected properties of the Schultz molecular topological index. 1087-1089 - Tomaz Pisanski, Arjana Zitnik, Ante Graovac, Anton Baumgartner:
Rotagraphs and Their Generalizations. 1090-1093 - Geoffrey M. Downs, Peter Willett, William Fisanick:
Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property Data. 1094-1102 - Krishnan Balasubramanian:
Are There Signed Cospectral Graphs? 1103-1104 - Ivan V. Stankevich, Elena G. Gal'pern, Anatolii L. Chistyakov, Igor I. Baskin, Mariya I. Skvortsova, Nikolai S. Zefirov, Oleg B. Tomilin:
Spectral Theory of Graphs in Chemistry. 1. Projection Operators and Canonical Numeration of Graph Vertices. 1105-1108 - Vladimir Kvasnicka, Jiri Pospichal:
Fast Evaluation of Chemical Distance by Tabu Search Algorithm. 1109-1112 - Musiri M. Balakrishnarajan, Ponnambalam Venuvanalingam:
Learning Approach for the Computation of Generalized Wheland Polynomials of Chemical Graphs. 1113-1117 - Alexandru T. Balaban, Subhash C. Basak, Timothy Colburn, Gregory D. Grunwald:
Correlation between Structure and Normal Boiling Points of Haloalkanes C1-C4 Using Neural Networks. 1118-1121 - Musiri M. Balakrishnarajan, Ponnambalam Venuvanalingam:
General Method for the Computation of Matching Polynomials of Graphs. 1122-1126 - Bojan Mohar:
Extremal Mono-q-polyhexes. 1127-1129 - Anil K. Sharma, Sohail Sheikh, Istvan Pelczer, George C. Levy:
Classification and Clustering: Using Neural Networks. 1130-1139 - Yiqiu Yang, Lu Xu, Chang-Yu Hu:
Extended Adjacency Matrix Indices and Their Applications. 1140-1145 - Krishnan Balasubramanian:
Computer Generation of Automorphism Groups of Weighted Graphs. 1146-1150 - Harry P. Schultz, Emily B. Schultz, Tor P. Schultz:
Topological Organic Chemistry. 8. Graph Theory and Topological Indexes of Heteronuclear Systems. 1151-1157 - R. Esen, H. Kavak:
Spectrum Digitizing and Conditioning for the Infrared Library of Amorphous Silicon Alloys. 1158-1161 - Poonam Dang, A. K. Madan:
Structure-Activity Study on Anticonvulsant (Thio) Hydantoins Using Molecular Connectivity Indices. 1162-1166 - Benjamin M. Gimarc, Anna R. Brant:
Bullvalene: Reaction Graphs Relating Polysubstituted Positional Isomers. 1167-1173 - Sven J. Cyvin, Bjørg N. Cyvin, Jon Brunvoll, Egil Brendsdal:
Enumeration and Classification of Certain Polygonal Systems Representing Polycyclic Conjugated Hydrocarbons: Annelated Catafusenes. 1174-1180 - Padmakar V. Khadikar, Narayan V. Deshpande, Prabhakar P. Kale, Ivan Gutman:
Spectral Moments of Polyacenes. 1181-1183 - Lowell H. Hall, Jeffrey B. Fisk:
Computer Generation of Vertex Degree Sets for Chemical Graphs from Number of Vertices and Rings. 1184-1189 - Peter I. Nagy, John Tokarski, Anton J. Hopfinger:
Molecular Shape and QSAR Analyses of a Family of Substituted Dichlorodiphenyl Aromatase Inhibitors. 1190-1197 - Jorge Gálvez, Ramón García-Domenech, Jesús Vicente de Julián-Ortiz, Rosa Soler:
Topological Approach to Analgesia. 1198-1203 - Jean-Loup Faulon:
Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules. 1204-1218 - George W. A. Milne, Marc C. Nicklaus, John S. Driscoll, Shaomeng Wang, Daniel W. Zaharevitz:
National Cancer Institute Drug Information System 3D Database. 1219-1224
Volume 34, Number 6, November 1994
- Frank R. Burden:
Mapping Analytic Functions Using Neural Networks. 1229-1231 - Long-Biao Yin:
Classification Results of Mass Spectra of Toxic Compounds by Class Modeling. 1232-1234 - Giuseppe Balacco:
SwaN-NMR: A Complete and Expansible NMR Software for the Macintosh. 1235-1241 - Shaomeng Wang, George W. A. Milne, Gilles Klopman:
Graph Theory and Group Contributions in the Estimation of Boiling Points. 1242-1250 - Chang-Yu Hu, Lu Xu:
On Hall and Kier's Topological State and Total Topological Index. 1251-1258 - Huixiao Hong, Xin Xinquan:
ESSESA: An Expert System for Structure Elucidation from Spectra. 5. Substructure Constraints from Analysis of First-Order 1H-NMR Spectra. 1259-1266 - Jun Liu, Yuansheng Jiang:
New Method for Constructing Isospectral Graphs. 1267-1272 - Sergey Vyazovkin, Wolfgang Linert:
Evaluation and Application of Isokinetic Relationships: The Thermal Decomposition of Solids under Nonisothermal Conditions. 1273-1278 - Brian T. Luke:
Evolutionary Programming Applied to the Development of Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships. 1279-1287 - Didier Villemin, Driss Cherqaoui, Abdelhalim Mesbah:
Predicting Carcinogenicity of Polycyclic Aromatic Hydrocarbons from Back-Propagation Neural Network. 1288-1293 - Seymour B. Elk:
Simplified Nomenclature of a Hexagonal Tessellation Lattice Using a Dimension-Increasing Transformation. 1294-1296 - Jonathan Greene, Scott D. Kahn, Hamid Savoj, Peter Sprague, Steven L. Teig:
Chemical Function Queries for 3D Database Search. 1297-1308 - Paul Pixner, Wolfgang Heiden, Hendrik Merx, Gerd Moeckel, Andreas Möller, Jürgen Brickmann:
Empirical Method for the Quantification and Localization of Molecular Hydrophobicity. 1309-1319 - Gilles Klopman, Mario Dimayuga, Joseph Talafous:
META. 1. A Program for the Evaluation of Metabolic Transformation of Chemicals. 1320-1325 - Joseph Talafous, Lawrence M. Sayre, John J. Mieyal, Gilles Klopman:
META. 2. A Dictionary Model of Mammalian Xenobiotic Metabolism. 1326-1333 - Lemont B. Kier, Chao-Kun Cheng:
A Cellular Automata Model of an Aqueous Solution. 1334-1337
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