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"Prediction of Chemical and Biological Properties of Organic Compounds from Molecular Structure" icon

Prediction of Chemical and Biological Properties of Organic Compounds from Molecular Structure

This website includes materials that describe the process of determining quantitative structure activity relationships. The slides focus on the ADAPT software, but are generally useful to anyone interested in QSAR, and discuss the details of Structure Entry and Molecular Modeling, Descriptor Generation, Feature Selection, Model construction, and Model Validation. The material may be downloaded in PDF format. A tutorial is also available for...

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