QSAR in Development of Antidepressants
QSAR in Development of Antidepressants
QSAR in Development of Antidepressants
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Why use GFA<br />
• builds multiple models rather than a s<strong>in</strong>gle<br />
model<br />
• selects descriptors to be used <strong>in</strong> the<br />
models<br />
• discovers comb<strong>in</strong>ations <strong>of</strong> descriptors<br />
– correlations between multiple features<br />
• Friedman's lack <strong>of</strong> fit(LOF) error measure<br />
– estimates best number <strong>of</strong> features<br />
– resists overfitt<strong>in</strong>g
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