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TeachOpenCADD
Machine Learning
KNIMEST AutoML Bayesian Parameter Optimization ChEMBL query Compound clustering Lipinski's rule of five Maximum common substructure
  1. Workflow
    TOC_W7_plus_AutoML
    TeachOpenCADD KNIMEST Machine Learning
    +1
    TeachOpenCADDのW7からSVMに関連する部分を拝借し、AutoMLコンポーネントを利用してみました。
    knimest > Public > KNIMEST_JP > TOC_W7_plus_AutoML
    0
    knimest
  2. Workflow
    TeachOpenCADD_reconfigured_with_KNIME_4.5
    ChEMBL query PDB query Molecular filtering
    +7
    What is this? This is TeachOpenCADD KNIME (v1.0.3) reconfigured with KNIME 4.5. - Replaced deprecated nodes. - Adopted Workflow R…
    tymsk3891 > Public > TeachOpenCADD_reconfigured_with_KNIME_4.5 > TeachOpenCADD_reconfigured_with_KNIME_4.5
    0
    tymsk3891
  3. Workflow
    TOC_W7_plus_Bayesian_Parameter_Opt
    TeachOpenCADD KNIMEST Bayesian Parameter Optimization
    +2
    TeachOpenCADDのW7からSVMに関連する部分を拝借し、ベイズ最適化でハイパーパラメータチューニングを試みました
    knimest > Public > KNIMEST_JP > TOC_W7_plus_Bayesian_Parameter_Opt
    0
    knimest