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Christian Bartelmus

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Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning - Nature Chemistry

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By David F. Nippa, Alex Muller Verified, Georg Wuitschik, Irene Marzuoli, Jens Wolfard, Antonia F. Stepan, David B. Konrad, Uwe Grether, Christian Bartelmus
| Nature Verified
Abstract Late-stage functionalization is an economical approach to optimize the properties of drug candidates. However, the chemical complexity of drug molecules often makes late-stage diversification challenging. To address this problem, a late-stage functionalization platform based on geometric deep learning and high-throughput reaction screening was developed.
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