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Table 1 Several drug repurposing tools compared with ACID

From: ACID: a free tool for drug repurposing using consensus inverse docking strategy

Name

Method

Sample seta

Prediction performance

Date of last update

Refs.

AUCb

TOP(2%/5%/10%)c

Similarity comparison based approaches

 ChemMapper

3D similarity approach

216/7069

0.7

Dec 2016

[25]

 ChemProt 3.0

2D similarity approach

248/1700

0.827

Jan 2015

[26]

 HitPick

1NN similarity search approach

3430/3116926

0.61d

May 2013

[27]

 SwissTarget-prediction

Combination of 2D and 3D similarity approach

346/1730

0.87

Apr 2014

[28]

Docking algorithm based approaches

 idTarget

Divide and conquer based docking approach

1/3/1161, 1/4/1161

0.89, 0.91

Aug 2015

[13]

 INVDOCK

Inverse docking approach

2/23/2700

50%e

May 2001

[10]

 TarFisDock

Reverse docking approach

1/10/37, ··· 1/12/371

33%/33%/58%, 30%/20%/50%

Aug 2014

[11]

 ACID

Consensus inverse docking approach

51/133/831

0.84

47%/57%/68%

Dec 2018

 
  1. aThe sample set is number of positive/negative interactions for the similarity comparison based approaches, and is number of drugs/known targets/decoys for docking algorithm based approaches
  2. bThe AUC (Area Under Curve) is used to represent the prediction performance in the references cited, the closer the AUC value is to 1, the better the prediction performance is
  3. cThe TOP is the percentage of the top 2%/5%/10% candidates identified by the tools (except INVDOCK) to represent the prediction performance in the references cited, the higher the value of the TOP, the better the performance
  4. dFor HitPick, a sensitivity of 60.94%, a specificity of 99.99% and a precision of 92.11% is indicated in the references cited, normally, we can infer that the AUC of this tool is smaller than 0.61
  5. eFor INVDOCK, the TOP is the percentage of candidates identified by the tool, but the top percentage isn’t indicated in the references cited, the maximum value 50 is indicated