Table 1.
Some sampling algorithms discussed in this paper.
| Algorithms | Characteristic | Reference |
|---|---|---|
| Matching algorithms | Geometry-based, suitable to VS and database enrichment for its high speed |
[43-45] |
| Incremental construction | Fragment-based and docking incrementally | [30, 49, 50] |
| MCSS | fragment-based methods for the de novo design | [55, 56] |
| LUDI | fragment-based methods for the de novo design | [57] |
| Monte Carlo | Stochastic search | [58, 59] |
| Genetic algorithms | Stochastic search | [31, 32, 64] |
| Molecular dynamics | For further refinement after docking | [68-70] |