Prediction : terbium-154 - albumin

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Reference

When using this server please cite the following paper:

Zsila F, Bikadi Z, Malik D, Hari P, Pechan I, Berces A, Hazai E.

Evaluation of drug-human serum albumin binding interactions with support vector machine aided online automated docking.

Bioinformatics. 2011 May 18.



Prediction summary

SVM prediction results:


SVM : albumin prediction

Prediction result: Albumin ligand (prediction accuracy: 92.1%), binding site 2 (prediction accuracy: 80.0%)




Please note that binding site 3 prediction is not included in the built in SVM model.





Calculated physicochemical properties:

Molecular Weight = -999.000 
logP = -999.000 
Ghose-Viswanadhan-Wendoloski antiinflammatory-like index = -999.000 
number of carboxylic acids (aliphatic) = -999 
number of substituted benzene C(sp2) = -999 


Ligand Similarity:

In the following tables the similarities of the query compound to the original X-Ray compunds are presented. Similarity is calculated based on Tanimoto fingerprints. The value ranges from 0 to 1, with 1 being identical to the original X-Ray compound.

Site 1_IIA
L-Thyroxine0.012
Phenylbutazone0.011
CMPF0.011
R-Warfarin0.010
Compound 20.008
Indomethacin0.008
Compound 10.007
Azapropazone0.006
Dansyl-L-asparagine0.000
Diiodosalicylic acid0.000
Iodipamide0.000
Salicylic acid0.000
Site 2_IIIA
Propofol0.036
(S)-Ibuprofen0.028
L-Thyroxine0.012
Diazepam0.007
Dansyl-L-norvaline0.000
Dansyl-L-sarcosine0.000
Diflunisal0.000
Indoxyl sulphate0.000
Site 3_IB
Fusidic acid0.015
Azapropazone0.007
Bilirubin0.004
Compound 30.000

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Chemical structure