Journal of chemical information and modeling
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
Inhaltsverzeichnis
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Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused AnalysisBrameld, Ken A. / Kuhn, Bernd / Reuter, Deborah C. et al. | 2008
- 25
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The Trouble with QSAR (or How I Learned To Stop Worrying and Embrace Fallacy)Johnson, Stephen R. et al. | 2008
- 27
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A Scalable Approach to Combinatorial Library Design for Drug DiscoverySharma, Puneet / Salapaka, Srinivasa / Beck, Carolyn et al. | 2008
- 42
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3D QSAR and Molecular Docking Studies of Benzimidazole Derivatives as Hepatitis C Virus NS5B Polymerase InhibitorsPatel, Pallav D. / Patel, Maulik R. / Kaushik-Basu, Neerja et al. | 2008
- 56
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Multilabeled Classification Approach To Find a Plant Source for TerpenoidsHristozov, Dimitar / Gasteiger, Johann / Da Costa, Fernando B. et al. | 2008
- 68
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Natural Product-likeness Score and Its Application for Prioritization of Compound LibrariesErtl, Peter / Roggo, Silvio / Schuffenhauer, Ansgar et al. | 2008
- 75
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Balancing the Influence of Molecular Complexity on Fingerprint Similarity SearchingWang, Yuan / Bajorath, Jürgen et al. | 2008
- 85
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Theoretical Study of Radical and Neutral Intermediates of Artemisinin DecompositionPereira, Mírian S. C. / Kiralj, Rudolf / Ferreira, Márcia M. C. et al. | 2008
- 99
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Conformational Analysis of TMC114, a Novel HIV-1 Protease InhibitorNivesanond, Kanda / Peeters, Anik / Lamoen, Dirk et al. | 2008
- 109
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Graph Theoretical Similarity Approach To Compare Molecular Electrostatic PotentialsMarín, Ray M. / Aguirre, Nestor F. / Daza, Edgar E. et al. | 2008
- 119
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Thermostability of Salt Bridges versus Hydrophobic Interactions in Proteins Probed by Statistical PotentialsFolch, Benjamin / Rooman, Marianne / Dehouck, Yves et al. | 2008
- 128
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Toward More Reliable 13C and 1H Chemical Shift Prediction: A Systematic Comparison of Neural-Network and Least-Squares Regression Based ApproachesSmurnyy, Yegor D. / Blinov, Kirill A. / Churanova, Tatiana S. et al. | 2008
- 135
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Predicting Key Example Compounds in Competitors' Patent Applications Using Structural Information AloneHattori, Kazunari / Wakabayashi, Hiroaki / Tamaki, Kenta et al. | 2008
- 143
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Last Step of the Para Route of the Kolbe−Schmitt ReactionMarković, Zoran / Marković, Svetlana et al. | 2008
- 148
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Improvement of Protein-Compound Docking Scores by Using Amino-Acid Sequence Similarities of ProteinsFukunishi, Yoshifumi / Nakamura, Haruki et al. | 2008
- 157
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Receptor-Based Virtual Ligand Screening for the Identification of Novel CDC25 Phosphatase InhibitorsMontes, Matthieu / Braud, Emmanuelle / Miteva, Maria A. et al. | 2008
- 166
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Naive Bayes Classification Using 2D Pharmacophore Feature Triplet VectorsWatson, P. et al. | 2008
- 166
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Naïve Bayes Classification Using 2D Pharmacophore Feature Triplet VectorsWatson, Paul et al. | 2008
- 179
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Human Microsomal Prostaglandin E Synthase-1 (mPGES-1) Binding with Inhibitors and the Quantitative Structure−Activity CorrelationAbdulHameed, Mohamed Diwan M. / Hamza, Adel / Liu, Junjun et al. | 2008
- 186
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Similarity Based DockingMarialke, J. / Tietze, S. / Apostolakis, Joannis et al. | 2008
- 197
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New Serotonin 5-HT6 Ligands from Common Feature Pharmacophore HypothesesKim, Hye-Jung / Doddareddy, Munikumar Reddy / Choo, Hyunah et al. | 2008
- 207
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Ordinal Classification Using Comparative Molecular Field AnalysisOhgaru, Takanori / Shimizu, Ryo / Okamoto, Kousuke et al. | 2008
- 213
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Modeling anti-Trypanosoma cruzi Activity of N-Oxide Containing HeterocyclesBoiani, Mariana / Cerecetto, Hugo / González, Mercedes et al. | 2008
- 220
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Why Are Some Properties More Difficult To Predict than Others? A Study of QSPR Models of Solubility, Melting Point, and Log PHughes, Laura D. / Palmer, David S. / Nigsch, Florian et al. | 2008
- 233
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QSAR Models for the Human H+/Peptide Symporter, hPEPT1: Affinity Prediction Using Alignment-Independent DescriptorsLarsen, Simon Birksø / Jørgensen, Flemming Steen / Olsen, Lars et al. | 2008
- 242
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EndNote X (and XI) for WindowsWarr, Wendy A. et al. | 2008
- 245
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Adobe Acrobat 8: Classroom in a Book By the Adobe Creative Team. Adobe Press. 2006. xii + 514 pp, CD-ROM. ISBN 0-321-47085-0, 978-0-321-47085-0. Softcover U.S. $45.00.Heller, Stephen R. et al. | 2008
- 245
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Adobe Acrobat 8: Classroom in a BookHeller, S.R. et al. | 2008
- 245
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Maya 8 for Windows and Macintosh (Visual Quickstart Guide)Heller, S.R. et al. | 2008
- 245
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Maya 8 for Windows and Macintosh (Visual Quickstart Guide) By Morgan Robinson & Nathaniel Stern. Peachpit Press. 2007. xii + 532 pp. ISBN 0-321-47675-1, 978-0-321-47675-1. Softcover U.S. $34.99.Heller, Stephen R. et al. | 2008
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On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors. [J. Chem. Inf. Model. 46, 401−415 (2006)] byLovell, Timothy / Chen, Hongming / Lyne, Paul D. et al. | 2008