A computational tool for compound logistics in the Grand Israel National Center for Personalized Medicine (G-INCPM)

The drug discovery unit in the G-INCPM extends collaborative services to the research community who wish to engage in assay development, high throughput screening, and medicinal chemistry.

In addition to traditional drug discovery programs, chemical biologists in academia and small/medium commercial enterprises have an increased demand for access to libraries of bioactive compounds to be used in their research.

The screening library of G-INCPM is comprised of 200,000 distinct small organic compounds that are maintained in a variety of formats. Organic chemists in our laboratory are synthesizing new chemicals in powder form, registering the structure and physical characteristics, and dissolving for working stocks. On the other hand, screening libraries are entering the system in plates or matrix-vial formats. The compound management laboratory must manage the different physical formats and ultimately prepare assay-ready plates that are distributed to the final user. This user is typically a biologist who works in the G-INCPM or a collaborator who is performing studies in a different lab or institution. This presents a significant logistical challenge and erroneous registration or mapping can lead to incorrect interpretation of screening data.