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

URL (DBLP): http://dblp.uni-trier.de/db/journals/jcisd

Publication years (Num. hits)
1975 (57) 1976 (61) 1977 (54) 1978 (52) 1979 (57) 1980 (53) 1981 (44) 1982 (37) 1983 (33) 1984 (48) 1985 (77) 1986 (42) 1987 (31) 1988 (44) 1989 (45) 1990 (80) 1991 (92) 1992 (123) 1993 (137) 1994 (194) 1995 (145) 1996 (192) 1997 (214) 1998 (173) 1999 (169) 2000 (191) 2001 (201) 2002 (182) 2003 (257)
Publication types (Num. hits)
article(3085)
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Found 3085 publication records. Showing 3085 according to the selection in the facets
Hits ? Authors Title Venue Year Link Author keywords
1Martin Whittle, Peter Willett 0002, Werner Klaffke, Paula van Noort Evaluation of Similarity Measures for Searching the Dictionary of Natural Products Database. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Marina Cotta-Ramusino, Romualdo Benigni, Laura Passerini, Alessandro Giuliani Looking for an Unambiguous Geometrical Definition of Organic Series from 3-D Molecular Similarity Indices. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Robert Jäger, Stefan M. Kast, Jürgen Brickmann Parametrization Strategy for the MolFESD Concept: Quantitative Surface Representation of Local Hydrophobicity. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1David J. Wilton, Peter Willett 0002, Kevin Lawson, Graham Mullier Comparison of Ranking Methods for Virtual Screening in Lead-Discovery Programs. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Douglas J. Klein Applied Finite Group Actions By Adalbert Kerber. Springer-Verlag 1999, ISBN 35-4065-9412. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Christel A. S. Bergström, Ulf Norinder, Kristina Luthman, Per Artursson Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Biye Ren Atomic-Level-Based AI Topological Descriptors for Structure-Property Correlations. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Barry 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. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Yuan H. Zhao, Michael H. Abraham, Andreas M. Zissimos Determination of McGowan Volumes for Ions and Correlation with van der Waals Volumes. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Steven M. Muskal, Sanjiv Kumar Jha, M. Phani Kishore, Prashant Tyagi A Simple and Readily Integratable Approach to Toxicity Prediction. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Vladimir 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. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Michele Seeber, Pier Giuseppe De Benedetti, Francesca Fanelli Molecular Dynamics Simulations of the Ligand-Induced Chemical Information Transfer in the 5-HT1A Receptor. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Shashidhar N. Rao, Thomas P. Stockfisch Partially Unified Multiple Property Recursive Partitioning (PUMP-RP) Analyses of Cyclooxygenase (COX) Inhibitors. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Peter Murray-Rust, Henry S. Rzepa Chemical Markup, XML, and the World Wide Web. 4. CML Schema. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Ned C. Haubein, Scott A. McMillan, Linda J. Broadbelt Many-Body Optimization Using an Ab Initio Monte Carlo Method. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Aixia Yan, Johann Gasteiger Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1J. Kevin Lanctôt, Santosh Putta, Christian Lemmen, Jonathan Greene Using Ensembles to Classify Compounds for Drug Discovery. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Ruth V. Spriggs, Peter J. Artymiuk, Peter Willett 0002 Searching for Patterns of Amino Acids in 3D Protein Structures. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Klaus-Peter Schulz, Andrey A. Korytko, Morton E. Munk Applications of a HOUDINI-Based Structure Elucidation System. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Jaroslaw Polanski, Andrzej Bak Modeling Steric and Electronic Effects in 3D- and 4D-QSAR Schemes: Predicting Benzoic pKa Values and Steroid CBG Binding Affinities. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Kerby Shedden, Julie Brumer, Young Tae Chang, Gustavo R. Rosania Chemoinformatic Analysis of a Supertargeted Combinatorial Library of Styryl Molecules. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Feng Yang, Zhen-Dong Wang, Yun-Ping Huang, Pei-jiang Zhou Modification of the Wiener Index. 2. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Peter Ertl Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Naomie Salim, John D. Holliday, Peter Willett 0002 Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1John W. Raymond, Peter Willett 0002 Similarity Searching in Databases of Flexible 3D Structures Using Smoothed Bounded Distance Matrices. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Michael 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. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Masamoto Arakawa, Kiyoshi Hasegawa, Kimito Funatsu Application of the Novel Molecular Alignment Method Using the Hopfield Neural Network to 3D-QSAR. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Zheng Rong Yang, Kuo-Chen Chou Mining Biological Data Using Self-Organizing Map. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Dragos Horvath, Catherine Jeandenans Neighborhood Behavior of in Silico Structural Spaces with Respect to In Vitro Activity Spaces-A Benchmark for Neighborhood Behavior Assessment of Different in Silico Similarity Metrics. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Huafeng Xu, Sergei Izrailev, Dimitris K. Agrafiotis Conformational Sampling by Self-Organization. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Milan Randic, Alexandru T. Balaban On A Four-Dimensional Representation of DNA Primary Sequences. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Masamoto Arakawa, Kiyoshi Hasegawa, Kimito Funatsu Novel Alignment Method of Small Molecules Using the Hopfield Neural Network. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, Ruslan Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, William E. Acree Jr. A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Latifa Douali, Didier Villemin, Driss Cherqaoui Neural Networks: Accurate Nonlinear QSAR Model for HEPT Derivatives. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Bahram 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). Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Elena V. Konstantinova, Maxim V. Vidyuk Discriminating Tests of Information and Topological Indices. Animals and Trees. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Vladimir 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. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1David T. Stanton On the Physical Interpretation of QSAR Models. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Gerhard Bringmann, Christian Rummey 3D QSAR Investigations on Antimalarial Naphthylisoquinoline Alkaloids by Comparative Molecular Similarity Indices Analysis (CoMSIA), Based on Different Alignment Approaches. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Jonas Boström, Markus Böhm, Klaus Gundertofte, Gerhard Klebe A 3D QSAR Study on a Set of Dopamine D4 Receptor Antagonists. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Paolo Mazzatorta, Marjan Vracko, Aneta Jezierska, Emilio Benfenati Modeling Toxicity by Using Supervised Kohonen Neural Networks. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Eduardo J. Delgado, Joel B. Alderete Prediction of Henry's Law Constants of Triazine Derived Herbicides from Quantum Chemical Continuum Solvation Models. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Mayuso Kuno, Rungtiva Palangsuntikul, Supa Hannongbua Investigation on an Orientation and Interaction Energy of the Water Molecule in the HIV-1 Reverse Transcriptase Active Site by Quantum Chemical Calculations. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Jürgen Vogt, Natalja Vogt, Rüdiger Kramer Visualization and Substructure Retrieval Tools in the MOGADOC Database (Molecular Gasphase Documentation). Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Michel Deza, Patrick W. Fowler, Mikhail Shtogrin Version of Zones and Zigzag Structure in Icosahedral Fullerenes and Icosadeltahedra. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Corwin Hansch, Wayne E. Steinmetz, Albert J. Leo, Suresh Babu Mekapati, Alka Kurup, David Hoekman On the Role of Polarizability in Chemical-Biological Interactions. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Viera Lukacova, Stefan Balaz Multimode Ligand Binding in Receptor Site Modeling: Implementation in CoMFA. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1David W. Miller A Chemical Class-Based Approach to Predictive Model Generation. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Denise Yaffe, Yoram Cohen, Gabriela Espinosa, Alex Arenas, Francesc Giralt A Fuzzy ARTMAP-Based Quantitative Structure-Property Relationship (QSPR) for the Henry's Law Constant of Organic Compounds. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Cyril Ruckebusch, Ludovic Duponchel, Bernard Sombret, Jean-Pierre Huvenne, Javier Saurina Time-Resolved Step-Scan FT-IR Spectroscopy: Focus on Multivariate Curve Resolution. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Dragos 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. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Douglas M. Hawkins, Subhash C. Basak, Denise R. Mills Assessing Model Fit by Cross-Validation. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Miklos Feher, Eugen Deretey, Samir Roy BHB: A Simple Knowledge-Based Scoring Function to Improve the Efficiency of Database Screening. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Philip N. Judson, Jonathan D. Vessey A Comprehensive Approach to Argumentation. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Lemont B. Kier, Cho-Kung Cheng, Bernard Testa Studies of Ligand Diffusion Pathways over a Protein Surface. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Martin G. Grigorov, Hedwig Schlichtherle-Cerny, Michael Affolter, Sunil Kochhar Design of Virtual Libraries of Umami-Tasting Molecules. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Marko 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. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Gunnar Brinkmann, Patrick W. Fowler A Catalogue of Growth Transformations of Fullerene Polyhedra. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Xavier 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) Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Yongping Pan, Niu Huang, Sam Cho, Alexander D. MacKerell Jr. Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Jian Shen HAD: An Automated Database Tool for Analyzing Screening Hits in Drug Discovery. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Vladimir Poroikov, Dmitrii Filimonov, Wolf-Dietrich Ihlenfeldt, Tatyana Gloriozova, Alexey Lagunin, Yulia V. Borodina, Alla Stepanchikova, Marc C. Nicklaus PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Ola Engkvist, Paul Wrede, Ulrich Rester Prediction of CNS Activity of Compound Libraries Using Substructure Analysis. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Corwin Hansch, Alka Kurup QSAR of Chemical Polarizability and Nerve Toxicity. 2. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Jennifer L. Miller, Erin K. Bradley, Steven L. Teig Luddite: An Information-Theoretic Library Design Tool. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Patrick Bultinck, Ramon Carbó-Dorca, Christian Van Alsenoy Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Gerta Rücker, Christoph Rücker Walking Backward: Walk Counts of Negative Order. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Robert E. Buntrock Library Handbook for Organic Chemists By Andrew Poss. Chemical Publishing 2000, ISBN 0-8206-0361-9. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Nicholas Rhodes, Peter Willett 0002, Alain Calvet, James B. Dunbar Jr., Christine Humblet CLIP: Similarity Searching of 3D Databases Using Clique Detection. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Jarmo Huuskonen Prediction of Soil Sorption Coefficient of a Diverse Set of Organic Chemicals From Molecular Structure. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Feng Yang, Zhen-Dong Wang, Yun-Ping Huang, Xiu-Rong Ding, Pei-jiang Zhou Modification of Wiener Index and Its Application. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Ling 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. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Dimitris K. Agrafiotis, Huafeng Xu A Geodesic Framework for Analyzing Molecular Similarities. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Jan Cz. Dobrowolski, Aleksander P. Mazurek Model Carbyne Knots vs Ideal Knots. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Edward J. Barker, Eleanor J. Gardiner, Valerie J. Gillet, Paula Kitts, Jeff Morris Further Development of Reduced Graphs for Identifying Bioactive Compounds. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Ray 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. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Robert D. Clark, Julia Kar, Lakshmi B. Akella, Farhad Soltanshahi OptDesign: Extending Optimizable k-Dissimilarity Selection to Combinatorial Library Design. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Shu-Shen Liu, Hai-Ling Liu, Chun-Sheng Yin, Lian-Sheng Wang VSMP: A Novel Variable Selection and Modeling Method Based on the Prediction. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Qingzhang Lü, Jian-Hui Jiang, Ru-Qin Yu, Guo-Li Shen A Genetic Algorithm Based on Prepotency Evolution Using Chaotic Initiation Used for Network Training. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Wendy A. Warr Sixth International Conference on Chemical Structures. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Chunsheng Yang, Chongli Zhong Modified Connectivity Indices and Their Application to QSPR Study. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1John D. Holliday, Stephen P. Jelfs, Peter Willett 0002, Peter Gedeck Calculation of Intersubstituent Similarity Using R-Group Descriptors. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Ilie Fishtik, Ravindra Datta A Stoichiometric Approach to Quantitative Structure-Property Relationships (QSPR). Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1David T. Manallack, Benjamin G. Tehan, Emanuela Gancia, Brian D. Hudson, Martyn G. Ford, David J. Livingstone, David C. Whitley, Will R. Pitt A Consensus Neural Network-Based Technique for Discriminating Soluble and Poorly Soluble Compounds. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Muthukumarasamy Karthikeyan PharmTree 2.1. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Manfred K. Warmuth, Jun Liao, Gunnar Rätsch, Michael Mathieson, Santosh Putta, Christian Lemmen Active Learning with Support Vector Machines in the Drug Discovery Process. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Yuji Takahata, Maria Cristina Andreazza Costa, Anderson Coser Gaudio Comparison between Neural Networks (NN) and Principal Component Analysis (PCA): Structure Activity Relationships of 1, 4-Dihydropyridine Calcium Channel Antagonists (Nifedipine Analogues). Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Tao Peng, Jianfeng Pei, Jiaju Zhou 3D-QSAR and Receptor Modeling of Tyrosine Kinase Inhibitors with Flexible Atom Receptor Model (FLARM). Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Gordon G. Cash Immanants and Immanantal Polynomials of Chemical Graphs. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Alberto Gobbi, Man-Ling Lee DISE: Directed Sphere Exclusion. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1M. Lawrence Ellzey Jr. Finite Group Theory for Large Systems. 1. Symmetry-Adaptation. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Shijin Ren, Hyunjoong Kim Comparative Assessment of Multiresponse Regression Methods for Predicting the Mechanisms of Toxic Action of Phenols. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Jeffrey J. Sutherland, Donald F. Weaver Development of Quantitative Structure-Activity Relationships and Classification Models for Anticonvulsant Activity of Hydantoin Analogues. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Subhash 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. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Tomoko Niwa Using General Regression and Probabilistic Neural Networks To Predict Human Intestinal Absorption with Topological Descriptors Derived from Two-Dimensional Chemical Structures. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1M. Michael Gromiha Importance of Native-State Topology for Determining the Folding Rate of Two-State Proteins. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Csaba Hetényi, Uko Maran, Mati Karelson A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Andrey A. Toropov, T. Wayne Schultz Prediction of Aquatic Toxicity: Use of Optimization of Correlation Weights of Local Graph Invariants. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Swati Puri, James S. Chickos, William J. Welsh Three-Dimensional Quantitative Structure-Property Relationship (3D-QSPR) Models for Prediction of Thermodynamic Properties of Polychlorinated Biphenyls (PCBs): Enthalpies of Fusion and Their Application to Estimates of Enthalpies of Sublimation and Aqueous Solubilities. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
1Patrick 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. Search on Bibsonomy Journal of Chemical Information and Computer Sciences The full citation details ... 2003 DBLP  DOI  BibTeX  RDF
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