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ACD/Labs Blog

Why pKa Values are Relevant to Scientists in Pharma/BioTech Many of the small molecules under investigation in pharmaceutical and biopharmaceutical labs are susceptible to ionization. While the composition of positively charged molecules (cations), negatively charged molecules (anions), and molecules with groups that are both positively and negatively charged (zwitterions) differs by therapeutic area and drug...

ACD/Labs is committed to supporting scientific experts from many of the world’s leading biopharmaceutical and chemical companies in identifying, verifying, and elucidating chemical structures. Recently, we brought together some of these experts to discuss their workflows and how they’ve improved efficiency and confidence in structure determination.

From new instruments and software to the rise of the digital lab, the landscape of analytical chemistry data is constantly evolving. To stay on top of trends, we launch a comprehensive survey every few years focused on analytical chemistry data and its management. Here's what we learned.

1H NMR is the go-to technique to help identify or confirm the structure of organic compounds. A solution-state proton spectrum is relatively fast to acquire and a lot of information about the structure of a compound can be deduced from it. With centuries of combined experience in NMR data interpretation, we thought we’d share the basics of analyzing solution-phase 1H NMR spectra in this blog.

UPDATED Oct. 21st, 2021: We have found that a number of common misconceptions exist about validated environments. Many arise because previous deployments of software accompanied the installation of new hardware, or have involved informatics systems that are the source of data and reports submitted directly to regulatory authorities. Here we clear up some of the grey areas that seem to have become industry myths.

The pharmaceutical industry has renewed its interest in HTE these last few years. Leaders see it as a way to get medicines to patients faster, but they’re also attracted by the sheer quantity of data generated in parallel experiments. How and where should HTE be set up for maximum success? Read this blog for questions that should be considered.