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How AI is Used in Drug Discovery

Life Sciences Review | Thursday, July 29, 2021
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Adopting AI technology at various stages of Drug development will enable pharma companies to provide more personalized services and care to the patients.


FREMONT, CA: Artificial intelligence (AI) is being used at practically every stage of the pharmaceutical sector, the most prominent of which is data analysis and processing. Adopting AI and Machine Learning (ML) technology would enable firms to tap into the enormous potential in the pharmaceutical industry, with improved success rates in areas such as research and development, which are critical in the development of life-changing medicines.


AI is a self-learning system that reacts to and analyses data in real-time, enabling researchers to acquire valuable data regularly. The more data AI analyses and responds to, the smarter it grows, allowing the pharmaceutical business to advance.


The patient-centric approach necessitates a multi-faceted approach from companies. Being patient-centric entails providing people with individualized drugs and therapies based on their genetic make-up, disease kind, lifestyle, and medical history. It is concerned with a more rapid and precise diagnosis, allowing for more customized answers. As a result, AI will help in offering more personalized and remote care and disease prevention through customized health and lifestyle support when combined with patient-centric approaches.


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There are numerous components of the drug discovery and development process that AI can improve directly and indirectly. Computer-aided organic synthesis, compound discovery, assay development, biomarker and target discovery are just a few examples. AI strives to automate and optimize slow operations to significantly accelerate the R&D drug discovery process.


Benefits of applying AI to drug discovery


The use of AI in drug development has the potential to transform the current time and range of drug discovery.



  • AI makes use of the most recent developments in biology and computation to create cutting-edge drug discovery algorithms. AI has the ability to level the playing field in drug research due to rapid increases in computing capacity and lower processing costs.

  • Most crucially, AI can shift drug screening from the bench to a virtual lab, where findings can be generated quickly, and intriguing targets can be prioritized without requiring extensive experimental input or personnel hours.

  • For drug discovery, AI does not depend on predetermined targets. As a result, subjective prejudice and prior knowledge are not factors in the creation of this drug.

  • When it comes to defining relevant interactions in a drug screen, AI has greater predictive power. As a result, by carefully choosing the assay parameters in question, the risk of false positives can be decreased.


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