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Model:
Name: log2(Net cell association) (Protein Corona Fingerprinting Predicts the Cellular Interaction of Gold and Silver Nanoparticles)
Type: regression
Source: http://www.bioassayontology.org/bao#BAO_0000015
Species: A549 human lung epithelial carcinoma cells
Training nanoparticles: 121
Endpoint: log2(Net cell association)
Unit: log2(mL/ug(Mg))
Algorithms:
Similarity: Algorithm::Similarity.tanimoto , min: 0.1
Prediction: Algorithm::Caret.rf
Feature selection:
Descriptors: fingerprint,

Independent crossvalidations (log2 transformed):
Num folds: 10
Num instances: 121
Num unpredicted 50
RMSE: 1.64
MAE: 1.287
R2: 0.516
Num folds: 10
Num instances: 121
Num unpredicted 50
RMSE: 1.745
MAE: 1.409
R2: 0.445
Num folds: 10
Num instances: 121
Num unpredicted 50
RMSE: 1.757
MAE: 1.395
R2: 0.455
Num folds: 10
Num instances: 121
Num unpredicted 50
RMSE: 1.694
MAE: 1.384
R2: 0.478
Num folds: 10
Num instances: 121
Num unpredicted 50
RMSE: 1.694
MAE: 1.336
R2: 0.487

QMRF report

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Please characterise a nanoparticle:


Model:
Name: log2(Net cell association) (Protein Corona Fingerprinting Predicts the Cellular Interaction of Gold and Silver Nanoparticles)
Type: regression
Source: http://www.bioassayontology.org/bao#BAO_0000015
Species: A549 human lung epithelial carcinoma cells
Training nanoparticles: 121
Endpoint: log2(Net cell association)
Unit: log2(mL/ug(Mg))
Algorithms:
Similarity: Algorithm::Similarity.weighted_cosine , min: 0.5
Prediction: Algorithm::Caret.rf
Feature selection: correlation_filter
Descriptors: properties, ["P-CHEM"]

Independent crossvalidations (log2 transformed):
Num folds: 10
Num instances: 121
Num unpredicted 0
RMSE: 1.739
MAE: 1.277
R2: 0.573
Num folds: 10
Num instances: 121
Num unpredicted 0
RMSE: 1.761
MAE: 1.273
R2: 0.561
Num folds: 10
Num instances: 121
Num unpredicted 0
RMSE: 1.873
MAE: 1.365
R2: 0.501
Num folds: 10
Num instances: 121
Num unpredicted 0
RMSE: 1.764
MAE: 1.261
R2: 0.56
Num folds: 10
Num instances: 121
Num unpredicted 0
RMSE: 1.812
MAE: 1.268
R2: 0.534

QMRF report

download

Please characterise a nanoparticle:


Model:
Name: log2(Net cell association) (Protein Corona Fingerprinting Predicts the Cellular Interaction of Gold and Silver Nanoparticles)
Type: regression
Source: http://www.bioassayontology.org/bao#BAO_0000015
Species: A549 human lung epithelial carcinoma cells
Training nanoparticles: 121
Endpoint: log2(Net cell association)
Unit: log2(mL/ug(Mg))
Algorithms:
Similarity: Algorithm::Similarity.weighted_cosine , min: 0.5
Prediction: Algorithm::Caret.rf
Feature selection: correlation_filter
Descriptors: properties, ["Proteomics"]

Independent crossvalidations (log2 transformed):
Num folds: 10
Num instances: 121
Num unpredicted 6
RMSE: 1.511
MAE: 1.12
R2: 0.683
Num folds: 10
Num instances: 121
Num unpredicted 11
RMSE: 1.485
MAE: 1.107
R2: 0.69
Num folds: 10
Num instances: 121
Num unpredicted 8
RMSE: 1.938
MAE: 1.368
R2: 0.506
Num folds: 10
Num instances: 121
Num unpredicted 7
RMSE: 1.663
MAE: 1.237
R2: 0.615
Num folds: 10
Num instances: 121
Num unpredicted 11
RMSE: 1.764
MAE: 1.251
R2: 0.576

QMRF report

download

Please characterise a nanoparticle:

A6NL26 (Spectral counts)
O14786 (Spectral counts)
O43866 (Spectral counts)
O75051 (Spectral counts)
O75052 (Spectral counts)
O76036 (Spectral counts)
O94900 (Spectral counts)
O95342 (Spectral counts)
O95810 (Spectral counts)
P00450 (Spectral counts)
P00734 (Spectral counts)
P00738 (Spectral counts)
P00739 (Spectral counts)
P00740 (Spectral counts)
P00742 (Spectral counts)
P01009 (Spectral counts)
P01011 (Spectral counts)
P01019 (Spectral counts)
P01023 (Spectral counts)
P01034 (Spectral counts)
P01591 (Spectral counts)
P01614 (Spectral counts)
P01617 (Spectral counts)
P01717 (Spectral counts)
P01743 (Spectral counts)
P01764 (Spectral counts)
P01765 (Spectral counts)
P01834 (Spectral counts)
P01857 (Spectral counts)
P01861 (Spectral counts)
P01871 (Spectral counts)
P01876 (Spectral counts)
P02656 (Spectral counts)
P02735 (Spectral counts)
P02741 (Spectral counts)
P02760 (Spectral counts)
P02763 (Spectral counts)
P02766 (Spectral counts)
P02774 (Spectral counts)
P02775 (Spectral counts)
P02787 (Spectral counts)
P04003 (Spectral counts)
P04004 (Spectral counts)
P04070 (Spectral counts)
P04217 (Spectral counts)
P04220 (Spectral counts)
P04632 (Spectral counts)
P05067 (Spectral counts)
P05155 (Spectral counts)
P06280 (Spectral counts)
P07225 (Spectral counts)
P08294 (Spectral counts)
P08567 (Spectral counts)
P08697 (Spectral counts)
P08709 (Spectral counts)
P09603 (Spectral counts)
P0C0L4 (Spectral counts)
P0C0L5 (Spectral counts)
P10646 (Spectral counts)
P11532 (Spectral counts)
P12259 (Spectral counts)
P12273 (Spectral counts)
P12814 (Spectral counts)
P13591 (Spectral counts)
P13667 (Spectral counts)
P14136 (Spectral counts)
P14314 (Spectral counts)
P14543 (Spectral counts)
P14625 (Spectral counts)
P16070 (Spectral counts)
P16112 (Spectral counts)
P18827 (Spectral counts)
P19823 (Spectral counts)
P19827 (Spectral counts)
P20851 (Spectral counts)
P21810 (Spectral counts)
P22607 (Spectral counts)
P22891 (Spectral counts)
P25311 (Spectral counts)
P27797 (Spectral counts)
P30519 (Spectral counts)
P35443 (Spectral counts)
P43652 (Spectral counts)
P49746 (Spectral counts)
P49747 (Spectral counts)
P51884 (Spectral counts)
P55209 (Spectral counts)
P62987 (Spectral counts)
P80748 (Spectral counts)
P81605 (Spectral counts)
P98160 (Spectral counts)
Q02413 (Spectral counts)
Q04637 (Spectral counts)
Q06033 (Spectral counts)
Q07507 (Spectral counts)
Q0IIM8 (Spectral counts)
Q13103 (Spectral counts)
Q13546 (Spectral counts)
Q14393 (Spectral counts)
Q14520 (Spectral counts)
Q14689 (Spectral counts)
Q16348 (Spectral counts)
Q5HYC2 (Spectral counts)
Q6F5E8 (Spectral counts)
Q6UX06 (Spectral counts)
Q7Z7G0 (Spectral counts)
Q86UX6 (Spectral counts)
Q86YT5 (Spectral counts)
Q8IZF2 (Spectral counts)
Q8N149 (Spectral counts)
Q8NGJ4 (Spectral counts)
Q8TD33 (Spectral counts)
Q92747 (Spectral counts)
Q96KN2 (Spectral counts)
Q96NZ9 (Spectral counts)
Q99467 (Spectral counts)
Q99592 (Spectral counts)
Q99661 (Spectral counts)
Q99676 (Spectral counts)
Q99715 (Spectral counts)
Q9BXN1 (Spectral counts)
Q9C093 (Spectral counts)
Q9NRN5 (Spectral counts)
Q9P1Z9 (Spectral counts)
Q9UK55 (Spectral counts)
Q9ULK4 (Spectral counts)
Q9Y5G4 (Spectral counts)
Q9Y5H2 (Spectral counts)
Q9Y6Y1 (Spectral counts)