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
download
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
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