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AI 활용신약DB 상세

[논문] PharmaBench: Enhancing ADMET benchmarks with large language models 2024-12-02
조회수 105
AI 활용신약DB 정보 보기 벤치마크 보기
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후보물질최적화 약물탐색

유형

ADME Toxicity

모델

Prediction Classification

목적

연구

[GITHUB] BBB 데이터
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  • 작성일자
  • 조회10

  • 데이터링크


  • The Blood-Brain Barrier (BBB) The BBB33 is a selective barrier that separates the blood from the central nervous system (CNS) and poses significant challenges for drug delivery to the CNS. Predicting BBB penetration is crucial for designing drugs targeting CNS diseases. We have chosen log BB = –1 as the threshold value, as this is the most widely used threshold, as discussed in the B3DB. Overall, there are 8,301 unique molecules for the BBB task.