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2008
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Copyright © 2008 American Chemical Society
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6
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Evaluation of Virtual Screening Performance of Support Vector Machines Trained by Sparsely Distributed Active Compounds
FieldChopper, A New Tool for Automatic Model Generation and Virtual Screening Based on Molecular Fields
An Integrated Approach to Ligand- and Structure-Based Drug Design: Development and Application to a Series of Serine Protease Inhibitors
Using Buriedness To Improve Discrimination between Actives and Inactives in Docking
Discovery of Power-Laws in Chemical Space
SAMFA: Simplifying Molecular Description for 3D-QSAR
Core Trees and Consensus Fragment Sequences for Molecular Representation and Similarity Analysis
Calculation of Quantum-Mechanical Descriptors for QSPR at the DFT Level: Is It Necessary?
Docking to RNA via Root-Mean-Square-Deviation-Driven Energy Minimization with Flexible Ligands and Flexible Targets
Automatic Determination of Reaction Mappings and Reaction Center Information. 1. The Imaginary Transition State Energy Approach
Activation Mechanism of the Human Histamine H4 Receptor - An Explicit Membrane Molecular Dynamics Simulation Study
Predictive Activity Profiling of Drugs by Topological-Fragment-Spectra-Based Support Vector Machines
Membrane-Interaction Quantitative Structure−Activity Relationship (MI-QSAR) Analyses of Skin Penetration Enhancers
SARVision Plus by ChemApps
Protein Surface Conservation in Binding Sites
Automatic Determination of Reaction Mappings and Reaction Center Information. 2. Validation on a Biochemical Reaction Database
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