Table 4.
The methods for the prediction of drug targets.
| Number | Model or method name | Description of the model | Reference |
|---|---|---|---|
| 1 | The ligand-based virtual screening (LBVS) | By comparing candidate ligands with the known drugs of a target protein | (Byvatov et al., 2003; Krejsa et al., 2003) |
| 2 | Structured-based virtual screening (SBVS) | Based on the available crystallographic structure of target | (Ballesteros and Palczewski, 2001) |
| 3 | Ligand-based approach | Based on the families or subfamilies of targets | (Huang et al., 2013b) |
| 4 | Target-based approach | Divide the receptors and pooled together the known ligands into clusters | (Nagamine and Sakakibara, 2007) |
| 5 | In silico model for predicting the drug–target interactions | By the integration of the amino acid sequences, two-dimensional chemical structures, and mass spectrometry data, as well as the chemical functional groups and biological features | (He et al., 2010) |
| 6 | The SysDT model | By the integration of artificial intelligence computing methods systems biology, chemical genomics, and structural genomics, which are based on two powerful methods, random forest (RF) and support vector machine (SVM) | (Yu et al., 2012) |
| 7 | Weighted ensemble similarity (WES) method | Based on the theory that the systematic features of ligands that could accurately reflect the ligand–receptor binding pattern | (Zheng et al., 2015) |
| 8 | Pred-binding method | Based on 1,589 Dragon descriptors of ligands and 1,080 protein descriptors, by SVM and RF | (Shar et al., 2016) |