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Cheminformania

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    • Esben Jannik Bjerrum
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  • About
    • About Cheminformania
    • Esben Jannik Bjerrum

Ph.D, Esben Jannik Bjerrum

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e-mail: esbenbjerrum+cheminformania@gmail.com
private phone: + 46 76 303 90 13

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  1. esbenbjerrum on A deep Tox21 neural network with RDKit and KerasJanuary 22, 2025

    Yes, it's a single-task network. For a multi-task network, you would need to increase the number of output-neurons to fit…

  2. Elon on A deep Tox21 neural network with RDKit and KerasJanuary 20, 2025

    If I understand correctly, it seems you have used a single-label approach 'SR-MMP' instead of a multi layer approach using…

  3. esbenbjerrum on Generating Unusual Molecules with Genetic AlgorithmsNovember 24, 2024

    Yes, of course that is possible;-) I wrote a follow-up blogpost using molecular log-likelihood estimation to accomplish just that Generating…

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