Orestis A. Ntintas, Theodoros Daglis, Vassilis G. Gorgoulis
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Harnessing deep learning to build optimized ligands
A recent study proposes DeepBlock, a deep learning-based approach for generating ligands with targeted properties, such as low toxicity and high affinity with the given target. This approach outperforms existing methods in the field while maintaining synthetic accessibility and drug-likeness.
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