Molecular Representations in Machine-Learning-Based Prediction of PK Parameters for Insulin Analogs

Author:

Einarson Kasper A.12ORCID,Bendtsen Kristian M.3,Li Kang3,Thomsen Maria3,Kristensen Niels R.4,Winther Ole156,Fulle Simone3ORCID,Clemmensen Line1,Refsgaard Hanne H.F.2ORCID

Affiliation:

1. Danish Technical University (DTU), Applied Mathematics and Computer Science, Kongens Lyngby 2800, Denmark

2. Novo Nordisk A/S, Global Drug Discovery, Research & Early Development (R&ED), Måløv 2760, Denmark

3. Novo Nordisk A/S, Digital Science & Innovation, R&ED, Måløv 2760, Denmark

4. Novo Nordisk A/S, Data Science, Development, Søborg 2860, Denmark

5. Center for Genomic Medicine, Rigshospitalet (Copenhagen University Hospital), Copenhagen 2100, Denmark

6. Department of Biology, Bioinformatics Centre, University of Copenhagen, Copenhagen 2200, Denmark

Funder

Novo Nordisk Fonden

Innovationsfonden

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

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