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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