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Role of AI in Drug Discovery

By Idego Group

Role of AI in Drug Discovery

When discussing artificial intelligence, the focus typically remains on narrow AI - systems engineered to perform specific tasks. AI has permeated numerous sectors, from healthcare facilities to educational institutions, with each application serving specialized purposes using targeted datasets.

Researchers are advancing toward general artificial intelligence, which would function similarly to human cognition by adapting across diverse tasks. This progress has motivated pharmacologists to explore AI applications in drug discovery.

How does drug discovery work?

Drug discovery is the process in pharmacology where drugs are either designed or discovered. The conventional process involves identifying target compounds, synthesizing them, conducting efficacy testing, and ultimately deploying medications to patients - a timeline spanning 10-15 years.

Use of AI in drug discovery

Designing an artificial chemist - Machine learning algorithms can manage complexities by processing extensive datasets and organizing them into meaningful categories pursuing common objectives.

Using RNN in collaboration with the human brain - Recurrent neural networks operate by recognizing patterns rather than understanding chemical structures. These systems generate drug-like molecular combinations within specified chemical spaces, often producing targets human researchers might overlook.

Identification of leads - AI accelerates the identification process more effectively than traditional trial-and-error methods, enabling human researchers to focus on novel compound exploration while AI conducts systematic screening.

Ethical and IP Issues

AI requires substantial training datasets, which in pharmaceutical contexts frequently contain sensitive patient information. Utilizing such data raises privacy concerns while simultaneously enabling personalized medicines. Additionally, patent considerations remain contested.

AI demonstrates substantial potential within pharmaceutical development yet must address critical concerns before widespread implementation. The technology can streamline target identification, locate appropriate molecules, recommend structural modifications, and overcome challenges pharmaceutical companies currently face.

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