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HelixADMET: a robust and endpoint extensible ADMET system incorporating self-supervised knowledge transfer
Additionally, the pre-trained model provided by H-ADMET can be fine-tuned to generate new and customised ADMET endpoints, meeting various demands of drug research and development requirements.
HelixMO: Sample-Efficient Molecular Optimization in Scene-Sensitive Latent Space
Efficient exploration of the chemical space to search the candidate drugs that satisfy various constraints is a fundamental task of drug discovery.
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