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ACD/Labs Blog

Sanji Bhal
Andrius Sazonovas, ACD/Labs Head of Development of Percepta, shares his hot takes from the annual PhysChem Forum meeting that brings together scientists from industry and academia to discuss physical chemistry, ADME and toxicity.

Sanji Bhal
Most of us who’ve worked in chemistry know about logP. The partition coefficient makes it into Lipinski’s rule of five and most post-secondary educations. But when it comes to logP, we mean one exact chemical structure. If a compound ionizes, it’s not the same structure. And since most compounds investigated in pharmaceutical and pharmacological research contain ionizable sites, it’s not logP we should be concerned about, but logD.

Jessica Litman
What do you think of when you hear the word predict? Before I started grad school, I probably would have answered that question with crystal balls and fortune tellers. In reality, scientific predictions are calculations based on empirical evidence - not gut feelings. When used appropriately, they play an integral role in expediting academic and industrial workflows, reducing instrument time, and ultimately, saving money.