AI for your molecules
Why HARFANG Therapeutics decided to develop an AI platform in drug discovery?
Drug discovery is a long process that involves an extensive pipeline with multiple selection steps
In the early stages of drug discovery, it is critical to predict if a compound is likely to fail, either by not binding to the desired target or by showing potential undesirable absorption, distribution, metabolism, and excretion (ADME) characteristics.
Thanks to that, the investment in the development can be stopped before expensive trials started significantly reducing the financial risk.
Using AI, HARFANG Therapeutics will perform a large but stringent and reliable analysis to select the compound intended to receive market approval.
According to van der Lee et al (2022), the way AI could be applied in drug discovery is multifaceted:
1
if the target is known, AI can be used to predict what type of chemical structures might bind the target in the desired way
2
the chemical structure of known and efficient drugs or endogenic factors can be used to identify the targets, thereby elucidating the structure of a potential drug target
3
the in vivo characteristics of a novel compound can be predicted by using knowledge of known drug compounds, pharmacokinetics (PKs), and pharmacodynamics