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Stacking Gaussian processes to improve $$pK_a$$ p K a predictions in the SAMPL7 challenge |
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| Authors: | Raddi Robert M Voelz Vincent A |
| Institution: | 1.Department of Chemistry, Temple University, Philadelphia, PA, 19122, USA ; |
| Abstract: | Journal of Computer-Aided Molecular Design - Accurate predictions of acid dissociation constants are essential to rational molecular design in the pharmaceutical industry and elsewhere. There has... |
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