PPIM-IC50Pred

SVM based method
Fill up all the fields: (* marking fields are mandatory )
Users can get values of Physico-chemical properties of various chemicals directly from PubChem (Example : Nutlin-3a (11433190) is one of well known and clinicaly tested PPIM that can inhibit the target PPI Mdm2/P53 )
Input Pubchem ID/CID (optional)
MW*	XlogP3*		H.B.D*		H.B.A*		R.B.C*
T.P.S.A*	H.A.C*		Complexity*		D.A.S.C*		D.B.S.C*
C.B.U.C*
SVM based Target Selection *		Any PPI		Mdm2/P53		Bcl2/Bak

For Batch Input	Click for Batch Submission


Note: * Field should not be empty. MW: Molecular Weight [ Min: 57 g/mol & Max: 1200 g/mol]. XlogP3: [MIN: -4.0 & Max 15.6]. H.B.D : Hydrogen Bond Donor [Min: 0 & Max: 25]. H.B.A : Hydrogen Bond Acceptor [Min: 0 & Max: 46]. R.B.C: Rotatable Bond Count [Min: 0 & Max: 39]. T.P.S.A. : Topological Surface Area [Min: 0 Å & Max:778 Å]. H.A.C: Heavy Atom Count [Min: 3 & Max: 122]. Complexity: Complexity [Min: 0 & Max: 3570]. D.A.S.C: Defined Atom Stereo Count [Min: 0 & Max: 19]. D.B.S.C: Defined Bond Stereo Count[ Min: 0 & max: 3]. C.B.U.C : Co-valently-bonded Unit Count [Min: 1 & Max:8].