Maria Harris Rasmussen

Maria Harris Rasmussen

Postdoc


Publication year:
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1 - 3 out of 3Page size: 10
  1. 2023
  2. Published

    Do machines dream of atoms? Crippen's logP as a quantitative molecular benchmark for explainable AI heatmaps

    Rasmussen, Maria Harris, Christensen, D. S. & Jensen, Jan Halborg, 2023, In: SciPost Chemistry. 2, 1, 25 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  3. Published

    Toward De Novo Catalyst Discovery: Fast Identification of New Catalyst Candidates for Alcohol-Mediated Morita–Baylis–Hillman Reactions**

    Rasmussen, Maria Harris, Seumer, Julius Johannes & Jensen, Jan Halborg, 2023, In: Angewandte Chemie - International Edition. 62, 49, 9 p., e202310580.

    Research output: Contribution to journal › Journal article › Research › peer-review

  4. Published

    Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets

    Rasmussen, Maria Harris, Duan, C., Kulik, H. J. & Jensen, Jan Halborg, 2023, In: Journal of Cheminformatics. 15, 1, 17 p., 121.

    Research output: Contribution to journal › Journal article › Research › peer-review

ID: 182846057