
Conventional workflows following DEL screens tend to overlook most of the screening data. We present a chemomic approach with case studies that transforms this underused information into structure-function insights, guiding medicinal chemistry. By integrating analytics, pharmacophore modeling, and predictive SAR, we accelerate hit-to-lead optimization, uncover novel chemical space, and turn DEL datasets into actionable discovery strategiesConventional workflows following DEL screens tend to overlook most of the screening data. We present a chemomic approach with case studies that transforms this underused information into structure-function insights, guiding medicinal chemistry. By integrating analytics, pharmacophore modeling, and predictive SAR, we accelerate hit-to-lead optimization, uncover novel chemical space, and turn DEL datasets into actionable discovery strategies.
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Presented by:
Ryan Walsh
Principal Research Scientist
Co-authors:
Rebecca Swett
Miklos Feher
Chris Williams
Marie-Aude Guié
Erin Davis

