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Enhancing Ligand Discovery with Quantum Circuit Born Machines

December 7, 2023 at 10:50 am
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  • Optimization Case Studies
  • Ballroom G
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We introduce an innovative hybrid quantum-classical generative approach for designing new ligands and apply it to a protein target involved in cancer. Our method synergistically combines the strengths of Long Short-Term Memory (LSTM) networks, Quantum Circuit Born Machines (QCBMs), the STructure Obtained from NEtwork Decoding of SELF-referencIng Embedded Strings (STONED-SELFIES) algorithm, the VirtualFlow 2.0 platform, and the Chemistry42 platform.
Christoph Gorgulla, Lead Scientist, St. Jude Children’s Research Hospital
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Featured Speaker(s):
Christoph Gorgulla

Christoph Gorgulla

Lead Scientist St. Jude's Research Hospital
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Event Series Event Series: Optimization Case Studies

Enhancing Ligand Discovery with Quantum Circuit Born Machines

December 7, 2023 @ 10:50 am - 11:10 am

Featured Speaker(s):
Christoph Gorgulla

Christoph Gorgulla

Lead Scientist St. Jude's Research Hospital

We introduce an innovative hybrid quantum-classical generative approach for designing new ligands and apply it to a protein target involved in cancer. Our method synergistically combines the strengths of Long Short-Term Memory (LSTM) networks, Quantum Circuit Born Machines (QCBMs), the STructure Obtained from NEtwork Decoding of SELF-referencIng Embedded Strings (STONED-SELFIES) algorithm, the VirtualFlow 2.0 platform, and the Chemistry42 platform.

Christoph Gorgulla, Lead Scientist, St. Jude Children’s Research Hospital

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Date:
December 7, 2023
Time:
10:50 am - 11:10 am
Series:
Optimization Case Studies
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Ballroom G

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