Published Histories | ana88 | Drulito_Druglikeliness
Import history

Galaxy History ' Drulito_Druglikeliness'


DatasetAnnotation
1: Structure2D_CID_3767.sdf
112 lines
format: txt, database: ?
Info:
uploaded txt file
3767
-OEChem-06031708442D
17 17 0 0 0 0 0 0 0999 V2000
2.0000 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4: Descriptor Calculator result on Structure2D_CID_3767.sdf
3 lines
format: tabular, database: ?
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DescriptorMol.Wt.AlogPXlogPMol. RefractivityPol. Surf. AreaH-Bond DonorsH-Bond AcceptorsNo. of AtomsRot. Bond CountAcid Group CountNo. of Rigid BondsNo. of RingsStruct. AlertsNo. of Aromatic Rings
mol1137.059-1.707-0.82338.89267.482417208151
Source: /home/galaxy/galaxy-dist/database/files/019/dataset_19715.dat
5: DruLiTo on data 4
3 lines
format: tabular, database: ?
12345678910
Filters Lipinski Rule Ghose Filter CMC Filter Veber Filter MDDR Like Rule BBB-Likeness Unweigthed QED Weighted QED
mol1+NANANANANANANA
Source: /home/galaxy/galaxy-dist/database/files/019/dataset_19715.dat
6: DruLiTo on data 4
3 lines
format: tabular, database: ?
12345678910
Filters Lipinski Rule Ghose Filter CMC Filter Veber Filter MDDR Like Rule BBB-Likeness Unweigthed QED Weighted QED
mol1+--+-+--
Source: /home/galaxy/galaxy-dist/database/files/019/dataset_19715.dat