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Published on: September 8, 2023
Quantum computing for near-term applications in generative chemistry and drug discovery
Alexey Pyrkov1, Alex Aliper2, Dmitry Bezrukov1
1Insilico Medicine Hong Kong Ltd, Pak Shek Kok, New Territories, Hong Kong.
Abstract:
In recent years, drug discovery and life sciences have been revolutionized with machine learning and artificial intelligence (AI) methods. Quantum computing is touted to be the next most significant leap in technology; one of the main early practical applications for quantum computing solutions is predicted to be in quantum chemistry simulations. Here, we review the near-term applications of quantum computing and their advantages for generative chemistry and highlight the challenges that can be addressed with noisy intermediate-scale quantum (NISQ) devices. We also discuss the possible integration of generative systems running on quantum computers into established generative AI platforms.
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