Cyclin-dependent kinase ─ DUD cdk2
| Dataset sources | HUANG (2006)  DUD-Directory RINIKER (2013) Benchmarking-Platform |
|---|---|
| Dataset warnings | 1 warnings 
|
| Compounds | 1732× 'decoy', 47× 'active' |
| Classifier | Support Vector Machine (c:1, Linear) |
| Features | Filtered ECFP4 fragments The service uses filtered (instead of folded) Extended-Connectivity Fingerprint (ECFP) fragments as features for the prediction algorithm. more.. |
| Num features | 2048 |
Recent predictions
| Compound | Prediction Each prediction model provides a probability estimate for the prediction. The probability value indicates how confident the classifier is. more.. | App-Domain QSAR model predictions should not be trusted if the query compound is outside of the applicability domain of the model (i.e., if the query compound is dissimilar to the training dataset compounds). more.. | ||
|---|---|---|---|---|
| O(c1ccc(cc1)CCCNC(Cc2ccccc2)C)C |
| ? | ||
| NC(=O)C(=C/N1CCOCC1)/C#N |
| ✓ | ||
| CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=CC(=C(C)C(=C2O1)C)O |
| ? | ||
| COC1=C(C=CC(=C1)CC=C)O |
| ✓ | ||
| OC1=CC=C(Cl)C=C1 |
| - | ||
| C[C@@H]2COc3c(N1CCN(C)CC1)c(F)cc4c(=O)c(C(=O)O)cn2c34 |
| - | ||
| O(c1c(cccc1)CCN2CCC(CCc3c(OC)cccc3)CC2)C |
| ? | ||
| O(c1n(ccc1)CCCC2CCN(CCc3c(O)cccc3)CC2)C |
| ? | ||
| CN(C)CCCC(=O)O[C@H]2[C@@H]1[C@](C)([C@@H](O)CCC1(C)C)[C@@]3(O)C(=O)C[C@](C)(C=C)O[C@]3(C)[C@H]2OC(C)=O |
| ? | ||
| O=C1C(C(CC)=N)=C(O)CC(CC(C)=O)C1 |
| ? |