Journal of the Korea Institute of Information and Communication Engineering (한국정보통신학회논문지)

The Korea Institute of Information and Commucation Engineering (한국정보통신학회)
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Present Status and Future of AI-based Drug Discovery

신약개발에서의 AI 기술 활용 현황과 미래

  • Jung, Myunghee (Department of Software Engineering, Anyang University) ;
  • Kwon, Wonhyun (Department of Information, Electircal and Electronic Engineering, Anyang University)
  • Received : 2021.08.12
  • Accepted : 2021.10.29
  • Published : 2021.12.31
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Abstract

Artificial intelligence is considered one of the core technologies leading the 4th industrial revolution. It is adopted in various fields bringing about a huge paradigm shift throughout our society. The field of biotechnology is no exception. It is undergoing innovative development by converging with other disciplines such as computers, electricity, electronics, and so on. In drug discovery and development, big data-based AI technology has a great potential of improving the efficiency and quality of drug development, rapidly advancing to overcome the limitations in the existing drug development process. AI technology is to be specialized and developed for the purpose including clinical efficacy and safety-related end points based on the multidisciplinary knowledge such as biology, chemistry, toxicology, pharmacokinetics, etc. In this paper, we review the current status of AI technology applied for drug discovery and consider its limitations and future direction.

4차 산업혁명을 주도하는 기술 중 가장 핵심적인 기술로 꼽히고 있는 인공지능은 다양한 분야에 접목되면서 우리 사회 전반에 걸쳐 패러다임의 전환을 가져오고 있다. 바이오 분야 역시 예외는 아니어서 컴퓨터, 전기·전자, 기계 등 타 학문과 융합되면서 방대한 데이터 기반의 AI 기술을 도입하고 있다. 신약개발에서 AI 기술 도입은 신약개발의 효율성을 개선하고 효능 및 품질 향상을 가져올 수 있다. 신약개발은 다학제 분야가 접목된 융합 분야이고 개발 과정 단계별로 결과의 불확실성이 존재하고 있어 실용적 수준의 신약 개발을 위해서는 화학, 생물학, 독성학, 약동학 등 전문지식의 융합을 기반으로 하는 AI 기술 개발이 필요하다. 신약개발은 크게 주어진 질병에 대한 타겟 물질 발굴 및 검증, 히트 및 선도물질 발굴, 도출된 화합물에 대한 합성 가능성 및 효능 등에 대한 평가(Scoring)를 거쳐 최적의 신약 후보 물질을 발굴하고 마지막으로 전임상과 임상 과정의 단계를 거친다. 이때 AI 기술은 모든 단계에서 적용될 수 있고 단계마다 특화되어 적용될 수 있다. 본 논문에서는 신약개발을 위해 적용되고 있는 AI 기술 현황과 현재 기술의 한계를 살펴보고 향후 신약개발에서 AI 기술의 발전 방향을 고찰해 보고자 한다.

Keywords

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