The measurement between property distribution of original fentanyl and its analogues and property distribution of 546 validly generated molecules
| . | Molecularweight . | logp . | SA . | NP . | QED . | Percent sp3carbons . |
|---|---|---|---|---|---|---|
| KL | 0.279 | 0.316 | 0.317 | 0.178 | 0.132 | 0.166 |
| JS | 0.181 | 0.147 | 0.273 | 0.198 | 0.156 | 0.129 |
| Wasserstein distance | 0.000143 | 0.010270 | 0.024356 | 0.098023 | 0.184813 | 0.193828 |
| . | Molecularweight . | logp . | SA . | NP . | QED . | Percent sp3carbons . |
|---|---|---|---|---|---|---|
| KL | 0.279 | 0.316 | 0.317 | 0.178 | 0.132 | 0.166 |
| JS | 0.181 | 0.147 | 0.273 | 0.198 | 0.156 | 0.129 |
| Wasserstein distance | 0.000143 | 0.010270 | 0.024356 | 0.098023 | 0.184813 | 0.193828 |
The measurement between property distribution of original fentanyl and its analogues and property distribution of 546 validly generated molecules
| . | Molecularweight . | logp . | SA . | NP . | QED . | Percent sp3carbons . |
|---|---|---|---|---|---|---|
| KL | 0.279 | 0.316 | 0.317 | 0.178 | 0.132 | 0.166 |
| JS | 0.181 | 0.147 | 0.273 | 0.198 | 0.156 | 0.129 |
| Wasserstein distance | 0.000143 | 0.010270 | 0.024356 | 0.098023 | 0.184813 | 0.193828 |
| . | Molecularweight . | logp . | SA . | NP . | QED . | Percent sp3carbons . |
|---|---|---|---|---|---|---|
| KL | 0.279 | 0.316 | 0.317 | 0.178 | 0.132 | 0.166 |
| JS | 0.181 | 0.147 | 0.273 | 0.198 | 0.156 | 0.129 |
| Wasserstein distance | 0.000143 | 0.010270 | 0.024356 | 0.098023 | 0.184813 | 0.193828 |
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