Developing safe medicines is hard work. Researchers must rigorously assess every drug candidate molecule to ensure it does not harm patients. Cardiotoxicity - toxicity to the heart - is one of the factors that scientists consider.
Members of the ACD/Labs team, Kiril Lanevskij, Remigijus Didziapetris, and Andrius Sazonovas recently published a paper on the subject of predicting hERG inhibition, a property critical for assessing cardiotoxicity. This conversation with Andrius and Kiril discusses what hERG inhibition is, and how they were able to build a model using the unusual data available.
Read the paper: https://doi.org/10.1007/s10822-022-00483-0
Brought to you by ACD/Labs: www.acdlabs.com