Reposted by Gerhard Ecker
🔓Don't miss this #OpenAccess article by @gerhardecker.bsky.social and colleagues, using KNIME and ChEMBL data to show how common bioisosteric swaps predictably shift off‑target potencies 👇
pubs.rsc.org/en/content/a...
📍 @univie.ac.at 🧪
pubs.rsc.org
Data-driven assessment of bioisosteric replacements and their influence on off-target activity profiles
Bioisosterism, a fundamental concept in medicinal chemistry, involves the substitution of chemical groups with structural analogs that preserve similar physicochemical properties while potentially…
