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    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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    Protocol

    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)