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New AI Tool Set to Benefit Drug Discovery in Early Stages

19th June 2024

A novel artificial intelligence (AI) technology developed by Australian researchers under the direction of Monash University has the potential to revolutionise virtual screening in the early stages of drug development and improve scientists’ capacity to uncover promising new medications.

Even though the development of drugs computational methods is firmly established, there is unquestionably a lack of novel artificial intelligence (AI) tools that can quickly, reliably, and economically anticipate the potency of interactions between molecules and proteins—a crucial step in the entire process.

‘PSICHIC’, an Australian innovation, offers a completely new method by combining knowledge at the intersection of pharmaceutical discovery with computer technology.

Dr Lauren May, co-lead author from the Monash Institute of Pharmaceutical Sciences (MIPS), Stated: “Comparison of experimental and AI predictions of a large compound library against the A1 receptor – a potential therapeutic target for many diseases – demonstrated PSICHIC could effectively screen and identify a novel drug candidate.’’

She continued: ‘’Moreover, PSICHIC was able to distinguish the functional effects of the compound or, in other words, the way in which the drug might affect our bodies.”

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