Cost effective cheminformatics for small chemistry teams integrated within larger discovery groups

presentation · 10 years ago
by John McNeil (John McNeil & Co)
Instant JChem

Not all biotechnology companies are focused on small molecule drug discovery, nor do they need to manage millions of compounds. However, these companies do synthesize novel compounds and must track related data. For example, Ambrx Inc.'s discovery platform is based on a fundamental advance in protein biosynthesis that enables the company to genetically engineer proteins with new amino acid building blocks beyond the common twenty. Ambrx has a small, active, chemistry group that wishes to register compounds, assign identifiers, track batches, and associate analytical data. The cost of most chemistry registration systems force chemistry groups like these to do without. Ambrx uses our open source LabSynch software to track, analyze, report and share its protein-based drug discovery samples and data. We will describe how we integrated Instant JChem Enterprise with LabSynch to enable Ambrx to associate chemistry structure, batch and analytical data with their other discovery data.