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  1. No Access

    Chapter

    The Computer Simulation of High Throughput Screening of Bioactive Molecules

    As the activity of synthesised bioactive compounds increases, it becomes more difficult to discover new chemical entities with substantial advantages. The average number of compounds synthesized in order to ob...

    Frank R. Burden, David A. Winkler in Molecular Modeling and Prediction of Bioactivity (2000)

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    Application of Neural Networks to Large Dataset QSAR, Virtual Screening, and Library Design

    In the past decade, it became clear that some fundamental problems were arising in drug discovery. It was becoming harder to find new chemical entities with substantial advantages over existing drugs. Conseque...

    David A. Winkler, Frank R. Burden in Combinatorial Library (2002)

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    Protocol

    Nonlinear Predictive Modeling of MHC Class II-Peptide Binding Using Bayesian Neural Networks

    Methods for predicting the binding affinity of peptides to the MHC have become more sophisticated in the past 5–10 years. It is possible to use computational quantitative structure-activity methods to build mo...

    David A. Winkler, Frank R. Burden in Immunoinformatics (2007)