Rensselaer Exploratory Center for Cheminformatics Research (RECCR)
Presentations
Binding of Dipeptides to Metabotropic Glutamate Receptors
Analyzing fleas on an elephant: Molecular similarity analysis and scoring through features of the electron density
Bio-and chem-Informatics: Where do the twain meet?
Electron Density-Derived Descriptors in Drug Discovery and Protein Modeling
Data Fusion: Mining Chemical Information from Diverse Descriptor Sets
Data Fusion and Auto Fusion for QSAR
Molecular Similarity and Molecular Structure
Predictive Cheminformatics: Best Practices for Determining Model Domain Applicability
Cheminformatics and Chemical Information
Advances in Cheminformatics: Applications in Biotechnology, Drug Design and Bioseparation
Advances in Protein Dissimilarity Assessment and Protein- Surface Interaction Modeling using Hybrid Shape/Electronic Property Descriptors and SVM Methods
Machine Learning with High-Throughput Electron Density-Derived Molecular Descriptors: From Drug Discovery to Bioinformatics
New tools for virtual high-throughput screening
Consensus Feature Selection by Multi-Response Sparse SVR
Partial Least Squares Support Vector Machines in Drug Design: hERG IC50 Analysis
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