Quantitative Structure Activity Relationships (QSAR) manifest themselves throughout the entire drug discovery process and are utilized in aspects stemming from high-throughput screening, to lead identification and lead optimization.    Yvonne Connolly Martin was instrumental in formulating the fundamental aspects of QSAR during the time when this contributing author (McGaughey) was entering graduate school in 1991.  Even though these two scientists never co-authored together, McGaughey will highlight how the successes in her scientific career were built on fundamentals identified by Martin.   McGaughey will discuss her early work on 1) cholineacetyltransferase (ChAT) inhibitors and recent advances 2) the role of the face-to-face interaction in orexin antagonists and 3) how simple 2D QSAR categorical models still out-weigh more modern techniques such as deep learning.

QSAR:  How my success relied on pillars built by Yvonne Connolly Martin

253rd National Meeting (2017)

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