Search results for "Journal of Chemical Information and Computer Sciences"

Hits ?▲	Authors	Title	Venue	Year	Link
1	Masamoto Arakawa, Kiyoshi Hasegawa, Kimito Funatsu	Application of the Novel Molecular Alignment Method Using the Hopfield Neural Network to 3D-QSAR.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Masamoto Arakawa, Kiyoshi Hasegawa, Kimito Funatsu	Novel Alignment Method of Small Molecules Using the Hopfield Neural Network.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Edmond J. Abrahamian, Peter C. Fox, Lars Nærum, Inge Thøger Christensen, Henning Thøgersen, Robert D. Clark	Efficient Generation, Storage, and Manipulation of Fully Flexible Pharmacophore Multiplets and Their Use in 3-D Similarity Searching.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Gustavo A. Arteca	A Measure of Folding Complexity for D-Dimensional Polymers.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Arja Asikainen, Juhani Ruuskanen, Kari Tuppurainen	Spectroscopic QSAR Methods and Self-Organizing Molecular Field Analysis for Relating Molecular Structure and Estrogenic Activity.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Dimitris K. Agrafiotis, Huafeng Xu	A Geodesic Framework for Analyzing Molecular Similarities.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Benjamin C. P. Allen, Guy H. Grant, W. Graham Richards	Calculation of Protein Domain Structural Similarity Using Two-Dimensional Representations.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	M. Letizia Barreca, Rosaria Gitto, Silvana Quartarone, Laura De Luca, Giovambattista De Sarro, Alba Chimirri	Pharmacophore Modeling as an Efficient Tool in the Discovery of Novel Noncompetitive AMPA Receptor Antagonists.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Konstantin V. Balakin, Stanley A. Lang, Andrey V. Skorenko, Sergey E. Tkachenko, Andrey A. Ivashchenko, Nikolay P. Savchuk	Structure-Based versus Property-Based Approaches in the Design of G-Protein-Coupled Receptor-Targeted Libraries.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Subhash C. Basak, Krishnan Balasubramanian, Brian D. Gute, Denise R. Mills, Anna Gorczynska, Szczepan Roszak	Prediction of Cellular Toxicity of Halocarbons from Computed Chemodescriptors: A Hierarchical QSAR Approach.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Edward J. Barker, Eleanor J. Gardiner, Valerie J. Gillet, Paula Kitts, Jeff Morris	Further Development of Reduced Graphs for Identifying Bioactive Compounds.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Michael P. Barnett	Transformation of Harmonics for Molecular Calculations.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Zina Ben-Miled, Yang Liu, David Powers, Omran A. Bukhres, Michael Bem, Robert Jones, Robert J. Oppelt	An Efficient Implementation of a Drug Candidate Database.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Gil Benkö, Christoph Flamm, Peter F. Stadler	A Graph-Based Toy Model of Chemistry.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Christel A. S. Bergström, Ulf Norinder, Kristina Luthman, Per Artursson	Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Branimir Bertosa, Biserka Kojic-Prodic, Rebecca C. Wade, Michael Ramek, Stavroula Piperaki, Anna Tsantili-Kakoulidou, Sanja Tomic	A New Approach To Predict the Biological Activity of Molecules Based on Similarity of Their Interaction Fields and the logP and logD Values: Application to Auxins.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Grozdana Bogdani, Lajos Jakab	Pearson-type I Distribution Function for Polydisperse Polymer Systems. Molar Mass Distribution.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Yulia V. Borodina, A. Sadym, Dmitrii Filimonov, V. Blinova, A. Dmitriev, Vladimir Poroikov	Predicting Biotransformation Potential from Molecular Structure.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ramón Bosque, Joaquim Sales	A QSPR Study of O-H Bond Dissociation Energy in Phenols.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ramón Bosque, Joaquim Sales, Elisabeth Bosch, Martí Rosés, M. C. García-Alvarez-Coque, J. R. Torres-Lapasió	A QSPR Study of the p Solute Polarity Parameter to Estimate Retention in HPLC.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jonas Boström, Markus Böhm, Klaus Gundertofte, Gerhard Klebe	A 3D QSAR Study on a Set of Dopamine D4 Receptor Antagonists.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Scheila Furtado Braga, Douglas Soares Galvão	A Structure-Activity Study of Taxol, Taxotere, and Derivatives Using the Electronic Indices Methodology (EIM).	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Tibor Braun	The Reliability of Total Citation Rankings.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Gerhard Bringmann, Christian Rummey	3D QSAR Investigations on Antimalarial Naphthylisoquinoline Alkaloids by Comparative Molecular Similarity Indices Analysis (CoMSIA), Based on Different Alignment Approaches.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Gunnar Brinkmann, Gilles Caporossi, Pierre Hansen	A Survey and New Results on Computer Enumeration of Polyhex and Fusene Hydrocarbons.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Gunnar Brinkmann, Patrick W. Fowler	A Catalogue of Growth Transformations of Fullerene Polyhedra.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Gunnar Brinkmann, Patrick W. Fowler, C. Justus	A Catalogue of Isomerization Transformations of Fullerene Polyhedra.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Nathan Brown, Peter Willett 0002, David J. Wilton, Richard A. Lewis	Generation and Display of Activity-Weighted Chemical Hyperstructures.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Rainer Brüggemann, Gerhard Welzl, Kristina Voigt	Order Theoretical Tools for the Evaluation of Complex Regional Pollution Patterns.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Patrick Bultinck, Ramon Carbó-Dorca	Molecular Quantum Similarity Matrix Based Clustering of Molecules Using Dendrograms.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Patrick Bultinck, Ramon Carbó-Dorca, Christian Van Alsenoy	Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Patrick Bultinck, Tom Kuppens, Xavier Gironés, Ramon Carbó-Dorca	Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Patrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, Jan P. Tollenaere	Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Robert E. Buntrock	Library Handbook for Organic Chemists By Andrew Poss. Chemical Publishing 2000, ISBN 0-8206-0361-9.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Robert E. Buntrock	The Chemical Thesaurus 3.1.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Darko Butina, Joelle M. R. Gola	Modeling Aqueous Solubility.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	William G. Button, Philip N. Judson, Anthony Long, Jonathan D. Vessey	Using Absolute and Relative Reasoning in the Prediction of the Potential Metabolism of Xenobiotics.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Evgeny Byvatov, Uli Fechner, Jens Sadowski, Gisbert Schneider	Comparison of Support Vector Machine and Artificial Neural Network Systems for Drug/Nondrug Classification.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Chenzhong Cao, Yuanbin Lin	Correlation between the Glass Transition Temperatures and Repeating Unit Structure for High Molecular Weight Polymers.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Chenzhong Cao, Hua Yuan	A New Approach of Evaluating Bond Dissociation Energy from Eigenvalue of Bonding Orbital-Connection Matrix for C-C and C-H Bonds in Alkane.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Gordon G. Cash	Immanants and Immanantal Polynomials of Chemical Graphs.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Doron Chema, Amiram Goldblum	The "Nearest Single Neighbor" Method-Finding Families of Conformations within a Sample.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Yiyu Cheng, Minjun Chen, Weida Tong	An Approach to Comparative Analysis of Chromatographic Fingerprints for Assuring the Quality of Botanical Drugs.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Yiyu Cheng, Minjun Chen, William J. Welsh	Fractal Fingerprinting of Chromatographic Profiles Based on Wavelet Analysis and Its Application To Characterize the Quality Grade of Medicinal Herbs.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Artem Cherkasov	Inductive Electronegativity Scale. Iterative Calculation of Inductive Partial Charges.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Robert D. Clark, Julia Kar, Lakshmi B. Akella, Farhad Soltanshahi	OptDesign: Extending Optimizable k-Dissimilarity Selection to Combinatorial Library Design.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Clarimar José Coelho, Roberto Kawakami Harrop Galvão, Mário César Ugulino de Araújo, Maria Fernanda Pimentel, Edvan Cirino da Silva	A Linear Semi-infinite Programming Strategy for Constructing Optimal Wavelet Transforms in Multivariate Calibration Problems.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Marina Cotta-Ramusino, Romualdo Benigni, Laura Passerini, Alessandro Giuliani	Looking for an Unambiguous Geometrical Definition of Organic Series from 3-D Molecular Similarity Indices.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Nolan E. Dean, Jeffrey E. Miller, Christopher J. Halkides, Michael Messina	On the Possibility of Detecting Low Barrier Hydrogen Bonds with Kinetic Measurements.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Eduardo J. Delgado, Joel B. Alderete	Prediction of Henry's Law Constants of Triazine Derived Herbicides from Quantum Chemical Continuum Solvation Models.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Eduardo J. Delgado, Joel B. Alderete, Gonzalo A. Jaña	A Simple QSPR Model for Predicting Soil Sorption Coefficients of Polar and Nonpolar Organic Compounds from Molecular Formula.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Michel Deza, Patrick W. Fowler, Mikhail Shtogrin	Version of Zones and Zigzag Structure in Icosahedral Fullerenes and Icosadeltahedra.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Latifa Douali, Didier Villemin, Driss Cherqaoui	Neural Networks: Accurate Nonlinear QSAR Model for HEPT Derivatives.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jerry Ray Dias	Disjoint Molecular Orbitals in Nonalternant Conjugated Diradical Hydrocarbons.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Vladimir V. Diky, Robert D. Chirico, Randolph C. Wilhoit, Qian Dong, Michael Frenkel	Windows-Based Guided Data Capture Software for Mass-Scale Thermophysical and Thermochemical Property Data Collection.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jan Cz. Dobrowolski, Aleksander P. Mazurek	Model Carbyne Knots vs Ideal Knots.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ludovic Duponchel, Waiss Elmi-Rayaleh, Cyril Ruckebusch, Jean-Pierre Huvenne	Multivariate Curve Resolution Methods in Imaging Spectroscopy: Influence of Extraction Methods and Instrumental Perturbations.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Tomas Edvinsson, Gustavo A. Arteca, Christer Elvingson	Path-Space Ratio as a Molecular Shape Descriptor of Polymer Conformation.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jean-Loup Faulon, Carla J. Churchwell, Donald P. Visco Jr.	The Signature Molecular Descriptor. 2. Enumerating Molecules from Their Extended Valence Sequences.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jean-Loup Faulon, Donald P. Visco Jr., Ramdas S. Pophale	The Signature Molecular Descriptor. 1. Using Extended Valence Sequences in QSAR and QSPR Studies.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	M. Lawrence Ellzey Jr.	Finite Group Theory for Large Systems. 1. Symmetry-Adaptation.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Miklos Feher, Eugen Deretey, Samir Roy	BHB: A Simple Knowledge-Based Scoring Function to Improve the Efficiency of Database Screening.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	M. Lawrence Ellzey Jr., Dino Villagran	Finite Group Theory for Large Systems. 2. Generating Relations and Irreducible Representations for the Icosahedral Point Group, h.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Miklos Feher, Jonathan M. Schmidt	Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Miklos Feher, Jonathan M. Schmidt	Fuzzy Clustering as a Means of Selecting Representative Conformers and Molecular Alignments.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ola Engkvist, Paul Wrede, Ulrich Rester	Prediction of CNS Activity of Compound Libraries Using Substructure Analysis.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jun Feng, Laura Lurati, Haojun Ouyang, Tracy Robinson, Yuanyuan Wang, Shenglan Yuan, S. Stanley Young	Predictive Toxicology: Benchmarking Molecular Descriptors and Statistical Methods.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Yong Feng, Lei Liu, Jin-Ti Wang, Hao Huang, Qing-Xiang Guo	Assessment of Experimental Bond Dissociation Energies Using Composite ab Initio Methods and Evaluation of the Performances of Density Functional Methods in the Calculation of Bond Dissociation Energies.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Peter Ertl	Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ernesto Estrada, Humberto González	What Are the Limits of Applicability for Graph Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE Descriptors.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ilie Fishtik, Ravindra Datta	A Stoichiometric Approach to Quantitative Structure-Property Relationships (QSPR).	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Simona Funar-Timofei, Takahiro Suzuki, Joachim A. Paier, Andreas Steinreiber, Kurt Faber, Walter M. F. Fabian	Quantitative Structure-Activity Relationships for the Enantioselectivity of Oxirane Ring-Opening Catalyzed by Epoxide Hydrolases.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jorge Gálvez	Prediction of Molecular Volume and Surface of Alkanes by Molecular Topology.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Valerie J. Gillet, Peter Willett 0002, John Bradshaw	Similarity Searching Using Reduced Graphs.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Michael K. Gilson, Hillary S. R. Gilson, Michael J. Potter	Fast Assignment of Accurate Partial Atomic Charges: An Electronegativity Equalization Method that Accounts for Alternate Resonance Forms.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Xavier Gironés, Ramon Carbó-Dorca	Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets J. Chem. Inf. Comput. Sci. 42, 1185-1193 (2002)	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Xavier Gironés, Ramon Carbó-Dorca, Robert Ponec	Molecular Basis of LFER. Modeling of the Electronic Substituent Effect Using Fragment Quantum Self-Similarity Measures.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Georgios V. Gkoutos, Henry S. Rzepa, Richard M. Clark, Osei Adjei, Harpal Johal	Chemical Machine Vision: Automated Extraction of Chemical Metadata from Raster Images.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Alberto Gobbi, Man-Ling Lee	DISE: Directed Sphere Exclusion.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jeffrey W. Godden, John R. Furr, Jürgen Bajorath	Recursive Median Partitioning for Virtual Screening of Large Databases.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Alexander Golbraikh, Alexander Tropsha	QSAR Modeling Using Chirality Descriptors Derived from Molecular Topology.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Marko Golicnik, Jure Stojan	Generalized Theoretical and Practical Treatment of the Kinetics of an Enzyme-Catalyzed Reaction in the Presence of an Enzyme Equimolar Irreversible Inhibitor.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Maykel Pérez González, Humberto González Díaz, Reinaldo Molina Ruiz, Miguel A. Cabrera, Ronal Ramos de Armas	TOPS-MODE Based QSARs Derived from Heterogeneous Series of Compounds. Applications to the Design of New Herbicides.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Martin G. Grigorov, Hedwig Schlichtherle-Cerny, Michael Affolter, Sunil Kochhar	Design of Virtual Libraries of Umami-Tasting Molecules.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	M. Michael Gromiha	Importance of Native-State Topology for Determining the Folding Rate of Two-State Proteins.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ivan Gutman	QSPR/QSAR Studies by Molecular Descriptors By Mircea V. Diudea. Nova Science Publishers 2001, ISBN 1-5672-859-0.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	L. Mark Hall, Lowell H. Hall, Lemont B. Kier	Modeling Drug Albumin Binding Affinity with E-State Topological Structure Representation.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Corwin Hansch, Alka Kurup	QSAR of Chemical Polarizability and Nerve Toxicity. 2.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Corwin Hansch, Wayne E. Steinmetz, Albert J. Leo, Suresh Babu Mekapati, Alka Kurup, David Hoekman	On the Role of Polarizability in Chemical-Biological Interactions.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Pierre Hansen, Hadrien Mélot	Variable Neighborhood Search for Extremal Graphs, 6. Analyzing Bounds for the Connectivity Index.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ned C. Haubein, Scott A. McMillan, Linda J. Broadbelt	Many-Body Optimization Using an Ab Initio Monte Carlo Method.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Douglas M. Hawkins, Subhash C. Basak, Denise R. Mills	Assessing Model Fit by Cross-Validation.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ray Hefferlin, W. Bradford Davis, Jason Ileto	An Atlas of Forecasted Molecular Data. 1. Internuclear Separations of Main-Group and Transition-Metal Neutral Gas-Phase Diatomic Molecules in the Ground State.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Christian J. A. Heidorn, Kirsten Rasmussen, Bjørn G. Hansen, Ole Nørager, Remi Allanou, René Seynaeve, Stefan Scheer, Dag Kappes, Roberta Bernasconi	IUCLID: An Information Management Tool for Existing Chemicals and Biocides.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Bahram Hemmateenejad, Morteza Akhond, Ramin Miri, Mojtaba Shamsipur	Genetic Algorithm Applied to the Selection of Factors in Principal Component-Artificial Neural Networks: Application to QSAR Study of Calcium Channel Antagonist Activity of 1, 4-Dihydropyridines (Nifedipine Analogous).	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Csaba Hetényi, Uko Maran, Mati Karelson	A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	John D. Holliday, Stephen P. Jelfs, Peter Willett 0002, Peter Gedeck	Calculation of Intersubstituent Similarity Using R-Group Descriptors.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	John D. Holliday, Naomie Salim, Martin Whittle, Peter Willett 0002	Analysis and Display of the Size Dependence of Chemical Similarity Coefficients.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Xuan Hong, Anton J. Hopfinger	3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Anselm H. C. Horn	Essentials of Computational Chemistry, Theories and Models By Christopher J. Cramer. Wiley 2002, ISBN 0-471-48551-9.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF

Publications at "Journal of Chemical Information and Computer Sciences"( http://dblp.L3S.de/Venues/Journal_of_Chemical_Information_and_Computer_Sciences )