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资源简介：
MlogP nHDon RBN Model
应用场景：
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
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
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.
NIAID Data Ecosystem40
Descriptors list full AlvaDesc
A comprehensive set of molecular descriptors was calculated using AlvaDesc, including physicochemical, topological, geometrical, and surface-related parameters.
Zenodo2026-04-27 更新50
Prediction of antibacterial compounds as drugs (http://www.organic-chemistry.org).
acompounds to have a reasonable propability of being well absorbt their logP value must not be greater than 5.0. bmore than 80% of the drugs on the market have a (estimated) logS value greater than −4
NIAID Data Ecosystem40
