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TPSA(Tot) MlogP RBN
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创建时间：
2015-05-16
相关数据集
Performances of the optimized SVM models with MOE and IE descriptors on the training set (cross-validation CV) and the external validation set.
Performances of the optimized SVM models with MOE and IE descriptors on the training set (cross-validation CV) and the external validation set.
NIAID Data Ecosystem70
Meanings of the robust descriptors influencing significantly the CP-response of peptides.
1Weighted Holistic Invariant Molecular descriptors. 23D-Molecular Representation of Structures based on Electron diffraction.
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Statistical results of CoMSIA models with different combinations of molecular fields.
Statistical results of CoMSIA models with different combinations of molecular fields.
Figshare2025-06-17 更新30
MOESM7 of Feature optimization in high dimensional chemical space: statistical and data mining solutions
Additional file 7: Table S10. Weighted burden number descriptor values (PCAD) of FDA approved drugs and that of PubChem molecules which were enlisted in Table 3.
Figshare2018-07-13 更新40
Characterization of topological descriptors.
Accurate prediction of the physicochemical properties of drug compounds is critical for the development of effective and safe antibiotics. In this study, we employ advanced machine learning techniques
NIAID Data Ecosystem30
