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Inhibitor Prediction

  KiDoQ (Mtb target)

  GDoQ (Mtb target)

  ABMpred (Mtb target)

  eBooster (Mtb target)

  MDRIpred (Mtb cell)

  CancerIN (Cancer)

  ntEGFR (Cancer EGFR)

  EGFRpred (Cancer EGFR)

  DiPCell (Pancreatic Cancer)

  DMKPred (Human Kinases)

  TLR4HI (Human TLR4)

  HIVFin (HIV)

Antigenic Properties

  Carbotope
ADMET Properties

  MetaPred (Cytochrome P450)

  ToxiPred (Aqueous toxicity)

  DrugMint (Drug-like)

  QED (Oral drug-like)
Descriptors

  Format Conversion

  WebCDK

  MetaServer
     
We have used the PaDEL package for calculation of Fingerprints. For more information regarding the fingerprints calculated, please visit the PaDEL hompage. Detail PubChem fingerprints information is avaliable from PubChem ftp site
Description of fields: 1)Padel Fingeprint number: It describes the PaDEL fingerprint number. 2)Difference = If +ve, it means the fingerprint is more frequent in anti-egfr molecules. A negative value indicates the descriptor in less frequent in anti-egfr molecules

Result Search: Clear Filter Image
Padel Fingerprint
number
Frequency
in anti-egfr
molecules
Frequency
in non anti-egfr
molecules
Difference
(+ve score)
Padel Fingerprint
number
Frequency
in anti-egfr
molecules
Frequency
in non anti-egfr
molecules
Difference
(-ve score)
62373.0244.9228.1169823.2050.85-27.66
81535.5711.0224.556948.5930.32-21.72
34844.2424.7719.487143.7825.02-21.24
57969.2449.8719.3769063.8378.78-14.95
78631.8715.6716.206693.9518.74-14.79
28931.0116.7814.2314533.4248.04-14.62
19029.3816.0513.3370025.9539.97-14.02
65431.0117.8113.2142238.0650.00-11.94
56830.4117.9312.481528.4218.92-10.50
76045.6233.7711.843616.1016.48-10.38
81616.245.1211.116874.1213.88-9.75
58514.954.3110.6430211.1720.45-9.28
73022.1611.7010.478217.4716.40-8.92
57866.2456.0610.173824.4713.11-8.64
20131.2722.548.733408.2516.48-8.23
39340.3831.818.5737649.4057.51-8.12
4298.161.496.674775.3312.98-7.65
48714.359.394.957782.759.74-6.99
6048.083.254.8370121.8228.78-6.96
1976.011.414.606752.158.97-6.82
1474.1469.604.5419511.4318.23-6.81
4829.886.193.698201.127.86-6.74
6317.043.423.636975.5811.91-6.33
3418.254.703.552211.8617.63-5.78
37431.2727.753.524026.1911.91-5.73
63214.0010.893.127031.807.34-5.54
2086.793.673.111511.807.22-5.41
26332.6529.682.976831.556.49-4.94
5738.085.172.913995.4110.33-4.92
26039.0936.422.67401.726.49-4.77
8289.457.392.066271.295.89-4.60
2628.166.281.888350.865.34-4.48
7513.952.131.8253310.5714.94-4.38
193.692.011.696488.9313.07-4.13
4301.980.301.682150.9554.95-4.01
71626.9825.361.614711e-043.80-3.80
4113.442.261.174250.694.48-3.80
6495.844.701.157070.864.61-3.75
7592.321.490.832201e-043.63-3.63
5611.290.560.735200.173.76-3.59
8470.691e-040.694216.109.65-3.55
4165.074.400.677610.523.84-3.33
7901.891.240.653372.926.11-3.18
4633.612.990.6253024.5727.71-3.14
5393.092.480.6234760.8263.66-2.84
56.015.470.557190.343.12-2.77
3652.842.430.406371.203.97-2.77
1340.520.130.396521e-042.56-2.56
3381.461.110.356111.123.54-2.43
1854.384.140.242021.723.89-2.17
2040.260.040.225105.337.43-2.10
1200.260.040.2278111.1713.19-2.03
2170.430.260.177690.692.56-1.87
8330.340.170.177310.602.39-1.79
8270.260.090.171460.171.92-1.75
3515.245.080.161840.772.52-1.75
270.770.640.134801e-041.71-1.71
8080.430.300.137410.432.13-1.71
2090.260.130.137170.171.84-1.66
5244.214.100.111571e-041.54-1.54
5630.091e-040.09230.341.88-1.54
4100.091e-040.097200.091.58-1.49
3310.091e-040.094500.171.67-1.49
3391.121.070.051591.032.52-1.49
8110.430.380.056880.692.05-1.36
4700.170.130.047130.091.41-1.32
6510.090.040.047401.552.82-1.27
1001e-041e-040.006144.215.34-1.13
991e-041e-040.004903.694.74-1.05
101e-041e-040.006331.552.56-1.02
981e-041e-040.007221e-040.98-0.98
971e-041e-040.004060.431.41-0.98
961e-041e-040.004005.076.02-0.95
951e-041e-040.006501e-040.90-0.90
941e-041e-040.004991.122.01-0.89
931e-041e-040.005281e-040.85-0.85
921e-041e-040.007670.261.11-0.85
911e-041e-040.004851.462.31-0.85
901e-041e-040.007998.939.78-0.84
891e-041e-040.007240.090.90-0.81
8821e-041e-040.003690.170.94-0.77
8811e-041e-040.008621e-040.73-0.73
8801e-041e-040.007250.090.81-0.73
8791e-041e-040.004940.431.15-0.72
881e-041e-040.005901e-040.60-0.60
8781e-041e-040.004345.766.28-0.52
91e-041e-040.006711e-040.51-0.51
8771e-041e-040.007320.691.20-0.51
8761e-041e-040.002981e-040.47-0.47
8751e-041e-040.007741e-040.47-0.47
8741e-041e-040.007771e-040.43-0.43
8731e-041e-040.003000.170.60-0.43
8721e-041e-040.006960.260.68-0.43
8711e-041e-040.004151e-040.38-0.38
8701e-041e-040.001321e-040.34-0.34
8691e-041e-040.007380.170.51-0.34
871e-041e-040.001865.335.64-0.31
8681e-041e-040.005120.090.38-0.30
8671e-041e-040.006240.690.98-0.29
8661e-041e-040.001180.340.60-0.25