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ACD/Labs Blog

In 2019 Pfizer set out to create a knowledgebase of analytical data to empower their scientists with easily accessible data, timely responses to regulatory inquiries, and to improve the flow of information across R&D. Read about their continuing data digitalization journey.

The biggest barrier to AI/ML in R&D is poor scientific data. Scattered, inconsistent, and inaccessible data hinders automation, integration, and insights. Organizations must prioritize data standardization, automation, and culture change to unlock AI/ML's full potential and empower scientists.

The FAIR data guidelines are central to effective data management and the ability to leverage institutional knowledge. Unfortunately, not everyone understands the concepts. Read about the goals and benefits of FAIR data for scientists and the organization; and practical considerations for implementation.

There are a number of common misconceptions about software in 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.

Copilot said: Many small molecules in pharmaceutical and biopharmaceutical research are ionizable, making ionization a critical factor throughout drug discovery and development. Understanding pKa values helps scientists predict charge states, optimize screening and lead candidates, improve formulation strategies, and support decisions related to solubility, ADME/Tox properties, chromatography, and synthetic chemistry.

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.

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.