MOESM1 of An automated framework for QSAR model building
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Additional file 1. Figure S1. KNIME overview of automated QSAR modeling workflow. Figure S2. ChEMBLdb meta node. Figure S3. Nfold cross validation meta node. Figure S4. MeanMSE meta node. Figure S5. Stepwise estimation models meta node. Figure S6. Output files generated by automated QSAR modeling workflow. Figure S7. Mispredictions of over-fitted models. Table S1. Data modelability measure (MODI_ssR2) versus QSAR_PVE for 30 datasets.
创建时间：
2018-01-17
