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Table 1 Current drug response prediction approaches

From: Quantitative Structure–Mutation–Activity Relationship Tests (QSMART) model for protein kinase inhibitor response prediction

Date

Author

Best model

Compared models

Cancer cell line features

Drug response

Validation

Performance

EXP

MUT

CNV

Others

GDSC

CCLE

  

2013/04/30

Menden et al. [10]

ANN

RF

 

\(\checkmark\)

\(\checkmark\)

 

\(\checkmark\)

 

8-fold CV

\(\hbox {R}^{2} = 0.72\)

2014/01/01

Jang et al. [11]

GLM

RF, SVM, PCA, PLS

\(\checkmark\)

\(\checkmark\)

\(\checkmark\)

CLS

\(\checkmark\)

\(\checkmark\)

5-fold CV

r = \(\sim\) 0.5

2014/03/03

Geeleher et al. [12]

GLM

 

\(\checkmark\)

   

\(\checkmark\)

 

LOOCV

AUC = 0.81

2015/06/30

Dong et al. [13]

SVM

 

\(\checkmark\)

    

\(\checkmark\)

10-fold CV

Accuracy = \(\sim\) 0.8

2015/09/29

Zhang et al. [14]

Network

EN

\(\checkmark\)

   

\(\checkmark\)

\(\checkmark\)

LOOCV

r = 0.6

2016/03/31

Gupta et al. [15]

SVM

 

\(\checkmark\)

\(\checkmark\)

\(\checkmark\)

  

\(\checkmark\)

LOOCV

r = 0.78

2016/09/01

Ammad-Ud-Din et al. [16]

Kernel

GLM

   

PWY

\(\checkmark\)

 

5-fold CV

\(\rho\) = \(\sim\) 0.22

2016/12/28

Nguyen et al. [17]

MANOVA

RF

\(\checkmark\)

   

\(\checkmark\)

 

10-fold CV

MCC = 0.18

2017/01/09

Stanfield et al. [18]

Network

Kernel

 

\(\checkmark\)

 

PPI

\(\checkmark\)

\(\checkmark\)

LOOCV

AUC = 0.881

2017/07/15

Ammad-Ud-Din et al. [19]

GLM

RF, SVM, PLS, SGL

\(\checkmark\)

  

PWY

\(\checkmark\)

 

LOOCV

\(\rho\) = 0.375

2017/08/28

Geeleher et al. [20]

Ridge

 

\(\checkmark\)

   

\(\checkmark\)

 

10-fold CV

\(\rho\) = 0.48

2017/09/12

Rahman et al. [21]

RF

 

\(\checkmark\)

   

\(\checkmark\)

\(\checkmark\)

3-fold CV

AUC = \(\sim\) 0.3

2018/02/01

Ding et al. [22]

DNN

EN, SVM

\(\checkmark\)

\(\checkmark\)

\(\checkmark\)

 

\(\checkmark\)

\(\checkmark\)

25-fold CV

AUC = 0.87

2018/06/11

Chang et al. [23]

CNN

RF, SVM

   

SNP

\(\checkmark\)

 

5% leave-out

\(\hbox {R}^{2}\) = 0.843

2018/07/01

Cichonska et al. [24]

Kernel

 

\(\checkmark\)

 

\(\checkmark\)

SNP, MET

\(\checkmark\)

 

10-fold CV

r = 0.858

2018/08/15

He et al. [25]

Kernel

RF, EN, Ridge

\(\checkmark\)

   

\(\checkmark\)

 

3-fold CV

Precision = \(\sim\) 0.35

2018/09/14

Juan-Blanco et al. [26]

Network

 

\(\checkmark\)

\(\checkmark\)

   

\(\checkmark\)

LOOCV

AUC = \(\sim\) 0.72

2018/09/14

Le and Pham [27]

Network

Kernel

\(\checkmark\)

\(\checkmark\)

  

\(\checkmark\)

\(\checkmark\)

5-fold CV

r = 0.804

2018/12/07

Liu et al. [28]

Network

 

\(\checkmark\)

   

\(\checkmark\)

\(\checkmark\)

10-fold CV

r = 0.73

2019/01/22

Wei et al. [29]

Network

 

\(\checkmark\)

   

\(\checkmark\)

\(\checkmark\)

LOOCV

r = 0.63

2019/01/31

Wang et al. [30]

EN

 

\(\checkmark\)

  

PWY

 

\(\checkmark\)

10-fold CV

MSE = \(\sim\) 2.8

2019/01/31

Chiu et al. [31]

DNN

SVM, PCA, LR

\(\checkmark\)

\(\checkmark\)

  

\(\checkmark\)

 

10% leave-out

r = \(\sim\) 0.86

2019/02/27

Li et al. [32]

Mixture

RF, GLM

\(\checkmark\)

    

\(\checkmark\)

20% leave-out

r = 0.882

2019/05/01

Yang et al. [33]

Network + SVM

Kernel

 

\(\checkmark\)

\(\checkmark\)

PPI, MET

\(\checkmark\)

 

5-fold CV

AUC = 0.788

2019/07/11

Lind and Anderson [34]

RF

ANN, SVM

 

\(\checkmark\)

  

\(\checkmark\)

 

5-fold CV

r = 0.86

2019/07/29

Liu et al. [35]

CNN

ANN

 

\(\checkmark\)

\(\checkmark\)

 

\(\checkmark\)

 

10% leave-out

\(\hbox {R}^{2}\) = 0.826

2019/10/31

Manica et al. [36]

MCA + CNN

RF, SVM

\(\checkmark\)

 

\(\checkmark\)

PPI

\(\checkmark\)

 

5-fold CV

\(\underline{\textit{R}^{\textit{2}}\,=\,0.86}\)

2019/11/04

Oskooei et al. [37]

Network

RF, LR

\(\checkmark\)

  

PPI

\(\checkmark\)

 

30-fold CV

r = \(\sim\) 0.9

  1. The best performing method is highlighted in underlined
  2. ANN, artificial neural network; AUC, area under the ROC curve; CCLE, Cancer Cell Line Encyclopedia; CLS, cancer classification; CNN, convolutional neural network; CNV, copy number variation; CV, cross-validation; EN, elastic net; EXP, gene expression; GDSC, Genomics of Drug Sensitivity in Cancer; GLM, generalized linear model, including ridge, elastic net, and lasso regression; DNN, deep neural networks; LOOCV, leave-one-out cross-validation; LR, linear regression; MCA, multiscale convolutional attentive; MCC, Matthews correlation coefficient; MET, methylation; MSE, mean squared error; MUT, gene-level mutation (i.e. whether the gene is mutated or not); PCA, principal component analysis; PLS, partial least squares; PPI, protein–protein interaction; PWY, pathway; r, Pearson correlation coefficient; \(\hbox {R}^{2}\), coefficient of determination; RF, random forests; \(\rho\), Spearman’s rank correlation coefficient; RNN, recurrent neural network; SGL, sparse group lasso; SNP, single nucleotide polymorphism; SVM, support vector machine