• Corpus ID: 231879556

Artificial Intelligence based Autonomous Molecular Design for Medical Therapeutic: A Perspective

  title={Artificial Intelligence based Autonomous Molecular Design for Medical Therapeutic: A Perspective},
  author={Rajendra Prasad Joshi and Neeraj Kumar},
Domain-aware machine learning (ML) models have been increasingly adopted for accelerating small molecule therapeutic design in the recent years. These models have been enabled by significant advancement in state-of-the-art artificial intelligence (AI) and computing infrastructures. Several ML architectures are predominantly and independently used either for predicting the properties of small molecules, or for generating lead therapeutic candidates. Synergetically using these individual… 

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