Leveraging Cloud Computing for In-Silico Drug Design Using the Quantum Molecular Design (QMD) Framework

@inproceedings{KeinanShahar2018LeveragingCC,
  title={Leveraging Cloud Computing for In-Silico Drug Design Using the Quantum Molecular Design (QMD) Framework},
  author={KeinanShahar and Hatcher FrushElizabeth and J ShipmanWilliam},
  year={2018}
}
The authors present quantum molecular design, a novel cost-saving automated framework for de novo computational drug design. This technology not only addresses many of the challenges faced in the computer-aided drug design field by using highly accurate physics-based models, it also dramatically lowers costs by leveraging an AI heuristic search algorithm with targeted chemical space. 

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