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In this work, we investigate various strategies for combining molecular representations and different model architectures with macroscopic p K a calculations, with the goal of finding a generally applicable aqueous-solubility-prediction method

10.1186/s12987-018-0117-2 42 DingX.-W.SunX.ShenX.-F.LuY.WangJ.-Q.SunZ.-R.et al

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