How computers revolutionized drug discovery 50 years ago

Computerised cancer medicine — Science News, February 23, 1974

There frequently comes a requirement for chemists to categorize numerous compounds based on their possession of a particular property...[Scientists] are working on enabling computers to self-teach to decipher such issues. The latest tests suggest that the method [dependent on pattern identification] could be beneficial in identifying cancer medicines.

Modernized computers are capable of more than just examining known compounds. Utilizing advanced artificial intelligence, computers are aiding scientists in creating unique molecules and foreseeing how these compounds might interact with proteins in the human body, potentially resulting in innovative cancer therapies. Although this technology shows great potential, it's still in the initial phase. Most drugs, however, will likely continue to fail in human testing, warn some scientists. In 2021, the international biotech corporation, Exscientia, conducted the first AI-developed cancer drug trial. However, by 2023, the drug was discontinued due to its ineffectiveness. Other AI-based cancer drugs are currently undergoing various levels of testing.