mirror of
https://github.com/RYDE-WORK/lnp_ml.git
synced 2026-10-01 13:25:46 +08:00
5007 lines
192 KiB
JSON
5007 lines
192 KiB
JSON
{
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"items": [
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{
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"smiles": "O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O",
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{
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{
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|
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{
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{
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{
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{
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|
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{
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{
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{
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{
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|
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{
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|
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{
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|
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|
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{
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{
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|
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|
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{
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{
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|
|
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|
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{
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{
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{
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{
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{
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{
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{
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|
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{
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|
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{
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{
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{
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{
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|
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{
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{
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|
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|
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{
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|
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{
|
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|
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{
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|
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{
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|
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|
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|
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|
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{
|
|
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|
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|
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|
{
|
|
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|
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|
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|
{
|
|
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|
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{
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|
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{
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|
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{
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|
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|
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{
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|
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|
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|
|
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|
{
|
|
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{
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{
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|
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|
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|
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{
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|
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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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|
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{
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{
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{
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|
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|
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|
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{
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|
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|
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|
|
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{
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|
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|
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|
|
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|
|
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{
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{
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|
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{
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|
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{
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|
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|
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{
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|
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{
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|
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{
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{
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{
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{
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{
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{
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{
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|
|
"cationic_lipid_to_mrna_ratio": 11.12,
|
|
"cationic_lipid_mol_ratio": 47.54,
|
|
"phospholipid_mol_ratio": 17.02,
|
|
"cholesterol_mol_ratio": 30.79,
|
|
"peg_lipid_mol_ratio": 4.65,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "CCCCCCCCCCC(CN([C@H](C(NCCCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)=O)CO)CC(CCCCCCCCCC)O)O",
|
|
"cationic_lipid_to_mrna_ratio": 15.0,
|
|
"cationic_lipid_mol_ratio": 46.03,
|
|
"phospholipid_mol_ratio": 27.7,
|
|
"cholesterol_mol_ratio": 23.3,
|
|
"peg_lipid_mol_ratio": 2.97,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC/C=C\\C/C=C\\CCCCC)CCN(CCC(OCCCCCCCC/C=C\\C/C=C\\CCCCC)=O)CCCCCCN(CCCCCCN(CCC(OCCCCCCCC/C=C\\C/C=C\\CCCCC)=O)CCC(OCCCCCCCC/C=C\\C/C=C\\CCCCC)=O)CCCN1CCOCC1",
|
|
"cationic_lipid_to_mrna_ratio": 15.02,
|
|
"cationic_lipid_mol_ratio": 34.17,
|
|
"phospholipid_mol_ratio": 22.92,
|
|
"cholesterol_mol_ratio": 41.29,
|
|
"peg_lipid_mol_ratio": 1.62,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C(CN(CC(O)CCCCCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCCCCC)NCCCN(CC(O)CCCCCCCCCCCCCCCC)CC(O)CCCCCCCCCCCCCCCC",
|
|
"cationic_lipid_to_mrna_ratio": 9.66,
|
|
"cationic_lipid_mol_ratio": 46.21,
|
|
"phospholipid_mol_ratio": 27.2,
|
|
"cholesterol_mol_ratio": 24.04,
|
|
"peg_lipid_mol_ratio": 2.55,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCN([C@H](C(NCCCN(CCCCCCOC(CCCCCCCCC)=O)CCCCCCOC(CCCCCCCCC)=O)=O)CO)CCCCCCOC(CCCCCCCCC)=O)CCCCCCCCC",
|
|
"cationic_lipid_to_mrna_ratio": 13.33,
|
|
"cationic_lipid_mol_ratio": 32.5,
|
|
"phospholipid_mol_ratio": 21.05,
|
|
"cholesterol_mol_ratio": 41.76,
|
|
"peg_lipid_mol_ratio": 4.69,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "CCCCCCCCCCCCC(CN([C@H](C(NCCCN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)=O)CO)CC(CCCCCCCCCCCC)O)O",
|
|
"cationic_lipid_to_mrna_ratio": 14.0,
|
|
"cationic_lipid_mol_ratio": 36.24,
|
|
"phospholipid_mol_ratio": 18.31,
|
|
"cholesterol_mol_ratio": 42.47,
|
|
"peg_lipid_mol_ratio": 2.98,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(NCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)[C@H]([C@H](O)C)N(CCCCCCCCCCCC)CCCCCCCCCCCC",
|
|
"cationic_lipid_to_mrna_ratio": 15.53,
|
|
"cationic_lipid_mol_ratio": 49.02,
|
|
"phospholipid_mol_ratio": 14.07,
|
|
"cholesterol_mol_ratio": 33.54,
|
|
"peg_lipid_mol_ratio": 3.37,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
}
|
|
],
|
|
"batch_size": 32,
|
|
"use_llm": true
|
|
}
|