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Feature frequencies employed in developing the pharmacophore model
| Typea | Minimum | Maximum | Feature matching tolerance (Å) |
|---|---|---|---|
| A | 0 | 3 | 2.00 |
| D | 0 | 3 | 2.00 |
| H | 1 | 2 for μ, 3 for κ | 2.50 |
| N | 0 | 0 | 1.75 |
| P | 1 | 3 | 1.75 |
| R | 1 for μ, 0 for κ | 3 | 2.50 |
A: hydrogen bond acceptor; D: hydrogen bond donor; H: aliphatic hydrophobic group; N: negatively ionizable group; P: positively ionizable group; R: aromatic hydrophobic group
