vNN-ADMET now uses a Python based computational engine at the backend, resulting in minor differences in outputs of the 15 ADMET prediction models. Please visit the following [Link] for more details.
 Build Regression Model Results
Job Name: MRTD (Current Version)   Show model compounds
Model compounds
NameSMILESProperty
mrtd0001COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c3ccc(Cl)...-5.141787994
mrtd0002NCC(CC(=O)O)c1ccc(Cl)cc1-5.205873169
mrtd0003CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)...-7.353596274
mrtd0004CN(C)NN=C1N=CN=C1C(=O)N-4.607295812
mrtd0005CCOP(=O)(OCC)SCC[N+](C)(C)C-6.186070395
mrtd0006CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(=O)C-4.109013631
mrtd0007FC(F)(F)CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13-5.120941208
mrtd0008CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N-3.914350378
mrtd0009CCCCCCC(C)(C)c1cc(O)c2C3CC(=O)CCC3C(C)(C)Oc2c1-6.571173878
mrtd0010CN1CCN(CC1)C2=C3C=C(C)SC3=Nc4ccccc4N2-6.096816195
Regression
Tanimoto DistanceSmoothing FactorRCoverage
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version 1.1.1