Boris L. Milman Literature-Based Generation of Hypotheses on Chemical Composition Using Database Co-occurrence of Chemical Compounds. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1153-1158 [Journal]
Martin Hornig, Andreas Klamt COSMOfrag: A Novel Tool for High-Throughput ADME Property Prediction and Similarity Screening Based on Quantum Chemistry. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1169-1177 [Journal]
John W. Raymond, Christopher E. Kibbey An Automated Method for Exploring Targeted Substructural Diversity within Sets of Chemical Structures. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1195-1204 [Journal]
Daniel J. Graham Information Content in Organic Molecules: Aggregation States and Solvent Effects. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1223-1236 [Journal]
Tharun Kumar Allu, Tudor I. Oprea Rapid Evaluation of Synthetic and Molecular Complexity for in Silico Chemistry. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1237-1243 [Journal]
Mats G. Gustafsson Independent Component Analysis Yields Chemically Interpretable Latent Variables in Multivariate Regression. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1244-1255 [Journal]
Ester Papa, Fulvio Villa, Paola Gramatica Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow). [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1256-1266 [Journal]
Matheus Froeyen, Piet Herdewijn Correct Bond Order Assignment in a Molecular Framework Using Integer Linear Programming with Application to Molecules Where Only Non-Hydrogen Atom Coordinates Are Available. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1267-1274 [Journal]
Duangkamol Tantanak, Jumras Limtrakul, Matthew Paul Gleeson Probing the Structural and Electronic Factors Affecting the Adsorption and Reactivity of Alkenes in Acidic Zeolites Using DFT Calculations and Multivariate Statistical Methods. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1303-1312 [Journal]
Hsin-Yuan Wei, Keng-Chang Tsai, Thy-Hou Lin Modeling Ligand-Receptor Interaction for Some MHC Class II HLA-DR4 Peptide Mimetic Inhibitors Using Several Molecular Docking and 3D QSAR Techniques. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1343-1351 [Journal]
Kunal Roy, J. Thomas Leonard QSAR Analyses of 3-(4-Benzylpiperidin-1-yl)-N-phenylpropylamine Derivatives as Potent CCR5 Antagonists. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1352-1368 [Journal]
Andreas Bender, Robert C. Glen A Discussion of Measures of Enrichment in Virtual Screening: Comparing the Information Content of Descriptors with Increasing Levels of Sophistication. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1369-1375 [Journal]
Brian W. Clare, Claudiu T. Supuran Predictive Flip Regression: A Technique for QSAR of Derivatives of Symmetric Molecules. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1385-1391 [Journal]
Yun Xu, Richard G. Brereton Diagnostic Pattern Recognition on Gene-Expression Profile Data by Using One-Class Classification. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1392-1401 [Journal]
Joel R. Bock, David A. Gough Virtual Screen for Ligands of Orphan G Protein-Coupled Receptors. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1402-1414 [Journal]
Channa K. Hattotuwagama, Irini A. Doytchinova, Darren R. Flower In Silico Prediction of Peptide Binding Affinity to Class I Mouse Major Histocompatibility Complexes: A Comparative Molecular Similarity Index Analysis (CoMSIA) Study. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1415-1423 [Journal]
John J. Irwin Software Review: ChemOffice 2005 Pro by CambridgeSoft. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1468-1469 [Journal]
Dana L. Roth SPRESIweb 2.1, a Selective Chemical Synthesis and Reaction Database. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1470-1473 [Journal]
Achim Zielesny Chemistry Software Package ChemOffice Ultra 2005. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2005, v:45, n:5, pp:1474-1477 [Journal]
NOTICE1
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