Best practices for chemical data curation and QSAR model ...
Best practices for chemical data curation and QSAR model ...
Best practices for chemical data curation and QSAR model ...
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OUTLINE<br />
• Introduction: Brief outline of the <strong>QSAR</strong><br />
approach<br />
• Why <strong>model</strong>s fail (bad <strong>practices</strong>)<br />
• Good <strong>practices</strong>.<br />
– Predictive <strong>QSAR</strong> Modeling Workflow<br />
– Examples of the Workflow applications<br />
– Emerging applications of <strong>QSAR</strong>: chemocentric<br />
in<strong>for</strong>matics<br />
• Conclusions: <strong>QSAR</strong> <strong>model</strong>ing is a decision<br />
support