Chemical Spaces: Modeling, Exploration & Understanding

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The document discusses modeling and algorithms for cheminformatics research at Indiana University. It covers the goals of exploring chemical space, extracting meaningful chemical information, and developing intuitive tools. Specific topics discussed include QSAR modeling, interpreting QSAR models, assessing model applicability to new compounds, and contributions to tools like the Chemistry Development Kit and R packages for cheminformatics.

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Chemical Spaces: Modeling, Exploration & Understanding

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