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

Hits ?▲	Authors	Title	Venue	Year	Link
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	Gerrit Schüürmann, Simona Funar-Timofei	Multilinear Regression and Comparative Molecular Field Analysis (CoMFA) of Azo Dye-Fiber Affinities. 2. Inclusion of Solution-Phase Molecular Orbital Descriptors.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Loren D. Mendelsohn	Houben-Weyl and Science of Synthesis, Web Versions.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Tomoko Niwa	Using General Regression and Probabilistic Neural Networks To Predict Human Intestinal Absorption with Topological Descriptors Derived from Two-Dimensional Chemical Structures.	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	Darko Butina, Joelle M. R. Gola	Modeling Aqueous Solubility.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Muthukumarasamy Karthikeyan	PharmTree 2.1.	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 Jäger, Stefan M. Kast, Jürgen Brickmann	Parametrization Strategy for the MolFESD Concept: Quantitative Surface Representation of Local Hydrophobicity.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ruth V. Spriggs, Peter J. Artymiuk, Peter Willett 0002	Searching for Patterns of Amino Acids in 3D Protein Structures.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Sergey V. Trepalin, Andrey V. Skorenko, Konstantin V. Balakin, Anatoly F. Nasonov, Stanley A. Lang, Andrey A. Ivashchenko, Nikolay P. Savchuk	Advanced Exact Structure Searching in Large Databases of Chemical Compounds.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Nicholas Rhodes, Peter Willett 0002, Alain Calvet, James B. Dunbar Jr., Christine Humblet	CLIP: Similarity Searching of 3D Databases Using Clique Detection.	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	Jian Shen	HAD: An Automated Database Tool for Analyzing Screening Hits in Drug Discovery.	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	Barry K. Lavine, Charles E. Davidson, Curt M. Breneman, William P. Katt	Electronic van der Waals Surface Property Descriptors and Genetic Algorithms for Developing Structure-Activity Correlations in Olfactory Databases.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Robert P. Sheridan	Finding Multiactivity Substructures by Mining Databases of Drug-Like Compounds.	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	Scott A. Wildman, Gordon M. Crippen	Validation of DAPPER for 3D QSAR: Conformational Search and Chirality Metric.	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	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	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	Artur Ratkiewicz, Thanh N. Truong	Application of Chemical Graph Theory for Automated Mechanism Generation.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Andrey A. Korytko, Klaus-Peter Schulz, Mark S. Madison, Morton E. Munk	HOUDINI: A New Approach to Computer-Based Structure Generation.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Gerta Rücker, Christoph Rücker	Walking Backward: Walk Counts of Negative Order.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Suresh B. Singh, Richard D. Hull, Eugene M. Fluder	Text Influenced Molecular Indexing (TIMI): A Literature Database Mining Approach that Handles Text and Chemistry.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Danko Milosevic, Danica Batinic, Pasko Konjevoda, Nenad Blau, Nikola Stambuk, Ljiljana Nizic, Kristina Vrljicak, Danko Batinic	Analysis of Calcium, Oxalate, and Citrate Interaction in Idiopathic Calcium Urolithiasis in Children.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Su J. Patankar, Peter C. Jurs	Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using Molecular Structure Based Descriptors.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jaroslaw Polanski, Rafal Gieleciak, Miroslaw Wyszomirski	Comparative Molecular Surface Analysis (CoMSA) for Modeling Dye-Fiber Affinities of the Azo and Anthraquinone Dyes.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Philip N. Judson, Jonathan D. Vessey	A Comprehensive Approach to Argumentation.	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	Ansgar Schuffenhauer, Philipp Floersheim, Pierre Acklin, Edgar Jacoby	Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins.	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	Hua Yuan, Chenzhong Cao	Topological Indices Based on Vertex, Edge, Ring, and Distance: Application to Various Physicochemical Properties of Diverse Hydrocarbons.	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	Bono Lucic, Damir Nadramija, Ivan Basic, Nenad Trinajstic	Toward Generating Simpler QSAR Models: Nonlinear Multivariate Regression versus Several Neural Network Ensembles and Some Related Methods.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	S. Stanley Young, Marcia Wang, Fei Gu	Design of Diverse and Focused Combinatorial Libraries Using an Alternating Algorithm.	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	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	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	Wendy A. Warr	Evaluation of an Experimental Chemistry Preprint Server.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Philip N. Judson, Carol A. Marchant, Jonathan D. Vessey	Using Argumentation for Absolute Reasoning about the Potential Toxicity of Chemicals.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Wendy A. Warr	Sixth International Conference on Chemical Structures.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Ling Xue, Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath	Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys.	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	Shashidhar N. Rao, Thomas P. Stockfisch	Partially Unified Multiple Property Recursive Partitioning (PUMP-RP) Analyses of Cyclooxygenase (COX) Inhibitors.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Bo Kyeng Hou, Lawrence P. Wackett, Lynda B. M. Ellis	Microbial Pathway Prediction: A Functional Group Approach.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Vladimir Svetnik, Andy Liaw, Christopher Tong, J. Christopher Culberson, Robert P. Sheridan, Bradley P. Feuston	Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Les M. Sztandera, Mendel Trachtman, Charles Bock, Janardhan Velga, Ashish Garg	Soft Computing in the Design of Nontoxic Chemicals.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jeffrey J. Sutherland, Donald F. Weaver	Development of Quantitative Structure-Activity Relationships and Classification Models for Anticonvulsant Activity of Hydantoin Analogues.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Vladimir V. Zernov, Konstantin V. Balakin, Andrey A. Ivaschenko, Nikolay P. Savchuk, Igor V. Pletnev	Drug Discovery Using Support Vector Machines. The Case Studies of Drug-likeness, Agrochemical-likeness, and Enzyme Inhibition Predictions.	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	Taesung Moon, Jin-Soo Song, Jin Kak Lee, Chang No Yoon	QSAR Analysis of SH2-Binding Phosphopeptides: Using Interaction Energies and Cross-Correlation Coefficients.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Juan M. Luco, Adriana P. Salinas, Angel A. J. Torriero, Rodolfo Nieto Vázquez, Julio Raba, Eduardo Marchevsky	Immobilized Artificial Membrane Chromatography: Quantitative Structure-Retention Relationships of Structurally Diverse Drugs.	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	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	Robert E. Buntrock	The Chemical Thesaurus 3.1.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	P. M. Kroonenberg, William J. Dunn, J. J. F. Commandeur	Consensus Molecular Alignment Based on Generalized Procrustes Analysis.	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	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	Irene Luque Ruiz, Gonzalo Cerruela García, Miguel Ángel Gómez-Nieto	Computer-Assisted Learning Using a Dialogue System for Virtual Teacher-Student Communication.	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	Paolo Mazzatorta, Marjan Vracko, Aneta Jezierska, Emilio Benfenati	Modeling Toxicity by Using Supervised Kohonen Neural Networks.	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	Bo Liao, Tian-Ming Wang	General Combinatorics of RNA Hairpins and Cloverleaves.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	István Lukovits, Nenad Trinajstic	Atomic Walk Counts of Negative Order.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Yuji Takaoka, Yutaka Endo, Susumu Yamanobe, Hiroyuki Kakinuma, Taketoshi Okubo, Youichi Shimazaki, Tomomi Ota, Shigeyuki Sumiya, Kensei Yoshikawa	Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in Which Compounds Are Assigned Scores Based on Chemists' Intuition.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Chen Jiang, Yougui Li, Qingshan Tian, Tianpa You	QSAR Study of Catalytic Asymmetric Reactions with Topological Indices.	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	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	Trudi Wright, Valerie J. Gillet, Darren V. S. Green, Stephen D. Pickett	Optimizing the Size and Configuration of Combinatorial Libraries.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Shu-Shen Liu, Hai-Ling Liu, Chun-Sheng Yin, Lian-Sheng Wang	VSMP: A Novel Variable Selection and Modeling Method Based on the Prediction.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Yuan H. Zhao, Michael H. Abraham, Andreas M. Zissimos	Determination of McGowan Volumes for Ions and Correlation with van der Waals Volumes.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	T. J. Hou, X. J. Xu	ADME Evaluation in Drug Discovery. 2. Prediction of Partition Coefficient by Atom-Additive Approach Based on Atom-Weighted Solvent Accessible Surface Areas.	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	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	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	Peter Lind, Tatiana Maltseva	Support Vector Machines for the Estimation of Aqueous Solubility.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	István Lukovits, Ante Graovac, Erika Kálmán, György Kaptay, Peter I. Nagy, Sonja Nikolic, Jaroslav Sytchev, Nenad Trinajstic	Nanotubes: Number of Kekulé Structures and Aromaticity.	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	Wolfgang H. B. Sauer, Matthias K. Schwarz	Molecular Shape Diversity of Combinatorial Libraries: A Prerequisite for Broad Bioactivity.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Christoph Steinbeck, Yongquan Han, Stefan Kuhn, Oliver Horlacher, Edgar Luttmann, Egon L. Willighagen	The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics.	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	Manfred K. Warmuth, Jun Liao, Gunnar Rätsch, Michael Mathieson, Santosh Putta, Christian Lemmen	Active Learning with Support Vector Machines in the Drug Discovery Process.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Craig L. Senese, Anton J. Hopfinger	A Simple Clustering Technique To Improve QSAR Model Selection and Predictivity: Application to a Receptor Independent 4D-QSAR Analysis of Cyclic Urea Derived Inhibitors of HIV-1 Protease.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Fabio Zuccotto	Pharmacophore Features Distributions in Different Classes of Compounds.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Vitaly P. Solov'ev, Alexandre Varnek	Anti-HIV Activity of HEPT, TIBO, and Cyclic Urea Derivatives: Structure-Property Studies, Focused Combinatorial Library Generation, and Hits Selection Using Substructural Molecular Fragments Method.	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	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	ShiWei Yin, Z. Shuai, Yilin Wang	A Quantitative Structure-Property Relationship Study of the Glass Transition Temperature of OLED Materials.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Dragos Horvath, Catherine Jeandenans	Neighborhood Behavior of in Silico Structural Spaces with Respect to in Vitro Activity Spaces-A Novel Understanding of the Molecular Similarity Principle in the Context of Multiple Receptor Binding Profiles.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Steven M. Muskal, Sanjiv Kumar Jha, M. Phani Kishore, Prashant Tyagi	A Simple and Readily Integratable Approach to Toxicity Prediction.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Hsi-Wu Wong, Xuegeng Li, Mark T. Swihart, Linda J. Broadbelt	Encoding of Polycyclic Si-Containing Molecules for Determining Species Uniqueness in Automated Mechanism Generation.	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	Tibor Braun	The Reliability of Total Citation Rankings.	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	Yongping Pan, Niu Huang, Sam Cho, Alexander D. MacKerell Jr.	Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Martin Whittle, Peter Willett 0002, Werner Klaffke, Paula van Noort	Evaluation of Similarity Measures for Searching the Dictionary of Natural Products Database.	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Jürgen Vogt, Natalja Vogt, Rüdiger Kramer	Visualization and Substructure Retrieval Tools in the MOGADOC Database (Molecular Gasphase Documentation).	Journal of Chemical Information and Computer Sciences	2003	DBLP DOI BibTeX RDF
1	Karsten H. Siegmund, Ulrich E. Steiner, Clemens Richert	ChipCheck-A Program Predicting Total Hybridization Equilibria for DNA Binding to Small Oligonucleotide Microarrays.	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 )