Sequence-Based CPI Predictor needs about 10 minutes to load the background data and trained models required for prediction. Therefore, 1-10 compounds requires about 20-30 minutes, but 100 compounds only requires about 1 hour.
Input example:
C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O Sparfloxacin
CN(C)C(=O)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O Camazepam
OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1 Mazindol
Out example:
Click to view example output results