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ACD/Labs Blog

The ability to quickly and reliably separate and identify active components in natural product mixtures “using bio-assay and/or mass spectrometry guided fractionation” is critical for successful natural product-based drug discovery. Dereplication is the practice of screening active compounds early in the development process, to recognize and eliminate compounds that have been previously studied. This enables...

The Max-Planck Institute for Biophysical Chemistry have replaced their paper lab journals with the ACD/Spectrus Platform to access all of their data via an interface that they created and optimized in house.

This article focuses on a means of capturing spectrum-to-structure correlations for Raman and infrared spectra. It discusses methods that can be used to obtain, archive, and retrieve this knowledge so that, once derived, it will remain a resource within the laboratory beyond the confines of individual analyst expertise.