Overview of Databases/Data Sources (English)
- New search for: Wiggins, Gary D.
- New search for: Gasteiger, Johann
- New search for: Wiggins, Gary D.
In:
Handbook of Chemoinformatics
: From Data to Knowledge in 4 Volumes
;
496-506
;
2003
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ISBN:
- Article/Chapter (Book) / Electronic Resource
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Title:Overview of Databases/Data Sources
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Contributors:Gasteiger, Johann ( editor ) / Wiggins, Gary D. ( author )
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Published in:Handbook of Chemoinformatics : From Data to Knowledge in 4 Volumes ; 496-506
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Publisher:
- New search for: Wiley‐VCH Verlag GmbH
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Place of publication:Weinheim, Germany
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Publication date:2003-08-08
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Size:11 pages
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ISBN:
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DOI:
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Type of media:Article/Chapter (Book)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents eBook
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Introduction| 2003
- 1
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Frontmatter| 2003
- 3
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The Scope of ChemoinformaticsGasteiger, Johann et al. | 2003
- 6
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A History of ChemoinformaticsWillett, Peter et al. | 2003
- 21
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Representation of Chemical Compounds| 2003
- 27
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Representation of Molecular Structures‐OverviewBarnard, John M. et al. | 2003
- 51
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Chemical Nomenclature and Structure Representation: Algorithmic Generation and ConversionWisniewski, Janusz Leon et al. | 2003
- 80
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SMILES‐A Language for Molecules and ReactionsWeininger, David et al. | 2003
- 103
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Graph Theory in ChemistryIvanciuc, Ovidiu et al. | 2003
- 139
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Canonical Numbering and Constitutional SymmetryIvanciuc, Ovidiu et al. | 2003
- 161
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Ring PerceptionDowns, Geoffrey M. et al. | 2003
- 178
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Topological Structure GeneratorsBangov, Ivan P. et al. | 2003
- 195
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Combinatorics of Organic Molecular StructuresWeininger, David et al. | 2003
- 206
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Representation and Manipulation of StereochemistryRohde, Bernhard et al. | 2003
- 231
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3D Structure GenerationSadowski, Jens et al. | 2003
- 262
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Conformational Analysis and SearchingSchwab, Christof H. et al. | 2003
- 302
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Molecular Shape AnalysisPolanski, Jarostaw et al. | 2003
- 320
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Computer Visualization of Molecular Models ‐Tools for Man‐Machine Communication in Molecular ScienceKeil, Matthias / Borosch, Thorsten / Exner, Thomas E. / Brickmann, Jürgen et al. | 2003
- 345
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Representation of Chemical Reactions| 2003
- 348
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Reaction Classification and Knowledge AcquisitionChen, Lingran et al. | 2003
- 389
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The Data| 2003
- 392
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Data TypesTomczak, Jarosew et al. | 2003
- 410
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Quality Control and Data AnalysisBooth, David E. / Isenhour, Thomas L / Mahaney, John K. Jr / Suh, Michael / Wright, Christine et al. | 2003
- 423
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Experimental DesignMarsili, Mario et al. | 2003
- 446
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Standard Exchange Formats for Spectral DataDavies, Antony N. et al. | 2003
- 466
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XML and Its Application in ChemistryMurray‐Rust, Peter / Rzepa, Henry S. et al. | 2003
- 491
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Databases/Data Sources| 2003
- 496
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Overview of Databases/Data SourcesWiggins, Gary D. et al. | 2003
- 507
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Bibliographic DatabasesBarth, Andreas et al. | 2003
- 523
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Databases of Chemical StructuresParis, C. Gregory et al. | 2003
- 556
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The CAS Information System: Applying Scientific Knowledge and Technology for Better InformationFisanick, William / Shively, Eric R. et al. | 2003
- 608
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The Beilstein DatabaseLawson, Alexander J. et al. | 2003
- 629
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Databases in Inorganic ChemistryVogt, Jürgen / Vogt, Natalja / Schunk, Axel et al. | 2003
- 645
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The Cambridge Structural Database (CSD) of Small Molecule Crystal StructuresAllen, Frank H. / Lipscomb, Karen J. / Battle, and Gary et al. | 2003
- 667
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Databases of Chemical ReactionsZass, Engelbert et al. | 2003
- 700
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Spectroscopic DatabasesNeudert, Reinhard / Davies, Antony N. et al. | 2003
- 722
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Databases on Environmental InformationVoigt, Kristina et al. | 2003
- 743
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Patent DatabasesVogt, Jürgen et al. | 2003
- 756
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Databases in Biochemistry and Molecular BiologyVon Homeyer, Alexander / Reitz, Martin et al. | 2003
- 794
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Chemistry on the InternetTarkhov, Alexei et al. | 2003
- 844
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Laboratory Information Management Systems (LIMS)Hemmer, Markus et al. | 2003
- 865
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Searching Chemical Structures| 2003
- 868
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Two‐Dimensional Structure and Substructure SearchingXu, Jun et al. | 2003
- 885
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Current State of the Art of Markush Topological Search SystemsBerks, Andrew H. et al. | 2003
- 904
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Similarity Searching in Chemical Structure DatabasesWillett, Peter et al. | 2003
- 917
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Calculation of Physical and Chemical Data| 2003
- 920
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Molecular MechanicsLanig, Harald et al. | 2003
- 947
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Quantum MechanicsClark, Tim et al. | 2003
- 977
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Descriptors for Chemical Compounds| 2003
- 981
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Topological IndicesIvanciuc, Ovidiu et al. | 2003
- 1004
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Descriptors from Molecular GeometryTodeschini, Roberto / Consonni, Viviana et al. | 2003
- 1034
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A Hierarchy of Structure RepresentationsGasteiger, Johann et al. | 2003
- 1062
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Representation of Molecular ChiralityAires‐De‐Sousa, João et al. | 2003
- 1079
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Methods for Data Analysis| 2003
- 1082
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Machine Learning Techniques in ChemistryRose, John R. et al. | 2003
- 1098
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Multivariate Data Analysis in ChemistryVarmuza, Kurt et al. | 2003
- 1134
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Partial Least Squares (PLS) in CheminformaticsEriksson, Lennart / Antti, Henrik / Holmes, Elaine / Johansson, Erik / Lundstedt, Torbjörn / Shockcor, John / Wold, Svante et al. | 2003
- 1167
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Neural NetworksZupan, Jure et al. | 2003
- 1216
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Fuzzy Set Theory and Fuzzy Logic and Its Application to Molecular RecognitionExner, Thomas E. / Keil, Matthias / Brickmann, Jürgen et al. | 2003
- 1239
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Evolutionary Algorithms and Their Applications in ChemistryVon Homeyer, Alexander et al. | 2003
- 1281
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Expert SystemsHemmer, Markus et al. | 2003
- 1295
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Applications| 2003
- 1300
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Odanol/Water Partition CoefficientsMannhold, Raimund et al. | 2003
- 1314
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Quantitative Structure‐Property RelationshipsJurs, Peter C. et al. | 2003
- 1336
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Web‐Based Calculation of Molecular PropertiesErtl, Peter / Selzer, Paul et al. | 2003
- 1349
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Correlations between Chemical Structure and Infrared SpectraSelzer, Paul et al. | 2003
- 1368
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Correlations between Chemical Structures and NMR DataSteinbeck, Christoph et al. | 2003
- 1378
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Computer‐Assisted Structure ElucidationSteinbeck, Christoph et al. | 2003
- 1407
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Analysis of Reaction InformationGrethe, Guenter et al. | 2003
- 1428
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Computer‐Assisted Synthesis Design (CASD)Barone, René / Chanon, Michel et al. | 2003
- 1457
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Computer‐Assisted Synthesis Design by WODCA (CASD)Pförtner, M. / Sitzmann, M. et al. | 2003
- 1508
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Chemoinformatics and the Quest for Leads in Drug DiscoveryOprea, Tudor I. et al. | 2003
- 1532
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QSAR in Drug DesignKubinyi, Hugo et al. | 2003
- 1555
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Comparative Molecular Field Analysis (CoMFA)Kubinyi, Hugo et al. | 2003
- 1576
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3D‐ and nD‐QSAR MethodsEsposito, Emilio Xavier / Hopfinger, Anton J. / Madura, Jeffry D. et al. | 2003
- 1604
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High‐Throughput ChemistryWarr, Wendy A. et al. | 2003
- 1640
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Molecular DiversityFarnum, Michael A. / Desjarlais, Renée L / Agrafiotis, Dimitris K. et al. | 2003
- 1687
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Pharmacophore and Drug DiscoveryNicklaus, Marc C. et al. | 2003
- 1712
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De‐Novo Design SystemsJohnson, A. Peter et al. | 2003
- 1732
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The Docking ProblemSotriffer, Christoph / Stahl, Martin / Klebe, Gerhard et al. | 2003
- 1769
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From Structural Genomics to Drug Design: Knowledge Discovery in Crystallographic Databases to Assist Lead Discovery and OptimizationKlebe, C. et al. | 2003
- 1789
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Prediction of Protein Structure Through EvolutionRost, Burkhard / Liu, Jinfeng / Przybylski, Dariusz / Nair, Rajesh / Wrzeszczynski, Kazimierz O. / Bigelow, Henry / Ofran, Yanay et al. | 2003
- 1812
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Sequence and Genome BioinformaticsMewes, H. Werner et al. | 2003
- 1845
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Future DirectionsGasteiger, J. et al. | 2003
- 1849
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Index| 2003