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commented
2 weeks ago Greetings @MelogmoYanne!
We have successfully completed your model inference run. You can download your results here
Please note that these results will only be available for 30 days after which they will be removed and this issue closed.
Model
Antimalarial activity (ABS and sexual stages) - eos80ch
Molecules
O=CC(O)C(O)C(O)C(O)COC(O1)C(O)C(O)C(O)C1COC(O2)C(O)C(O)C(O)C2CO O=CC(O)C(O)C(O)C(O)COC(O1)C(O)C(O)C(O)C1COC(O2)C(O)C(O)C(O)C2CO COC1=CC=C(C2=C(OC)C(C3=C(C=C(O)C(OC)=C3O)O2)=O)C=C1 O[C@@H]1C@(O)OC@H[C@H]1OC@HC@HC@@HC@@H[C@H]2CO CC(NC)C1=CCC(N)C(OC2C(N)CC(N)C(OC3C(O)C(NC)C(CO3)(O)C)C2O)O1 COC1=C(O)C(O2)=C(C3=C(O4)C(OC5C(O)C(O)C(O)C(O5)CO)=C(OC)C=C3C2=O)C(C4=O)=C1 COC(C1=C(O)C2=C(C(C3=C(O2)C(C(O)=O)=CC(O)=C3)=O)C=C1)=O CC(CN1C2CC3C(C4CCC35C)CC=C6CC(OC7C(O)C(O)C(OC8C(OC9C(O)C(O)C(O)C(O9)C)C(O)C(O)C(O8)CO)C(O7)CO)CCC64C)CCC1C(C25)C COC1=C(O)C=CC(/C=C/C(OC2CC3=C(O)C=C(O)C=C3OC2C4=CC(O)=C(OC)C(O)=C4)=O)=C1 OC(C=C1O2)=CC(O)=C1CC(OC(/C=C/C3=CC=CC=C3)=O)C2C4=CC(O)=C(O)C(O)=C4 CCC(C(/N=C(O)/C(N(C(C(N(C(C/N=C(O)/C1CCCN1C(C(/N=C(O)/C(O2)C(CC)C)CC3=CC=CC=C3)=O)=O)C)C(C)C)=O)C)CCC(O)=O)C(N4CCCC4/C(O)=N/C(C(N(C(C2=O)CCC(O)=O)C)=O)C(C)C)=O)C CC(CCC1(C(O)=O)CCC23C)(CC1C2=CCC4C5(CCC(OC6C(OC7C(O)C(O)C(O)C(O7)CO)C(OC8C(O)C(OC9C(O)C(CO9)(O)CO)C(O)C(O8)CO)C(O)C(O6)CO)C(C)(C5CCC43C)C)C)C OCC(/N=C(O)/C1=CC=CC=C1)CC2=CC=CC=C2 C/C=C(C(OC1C(OC(/C(C)=C/C)=O)C(C(C2=CCC3C4(CCC(OC5C(OC6C(O)C(O)C(O)C(O6)CO)C(OC7C(O)C(O)C(O7)CO)C(O)C(O5)C(O)=O)C(C4CCC38C)C)C)CC(C)1C)(C(O)CC28C)CO)=O)\C CCC(CCCCCCCCC1C/C(O)=N/C/C(O)=N/C(/C(O)=N/C(/C(O)=N/1)C(C)C)CCCN)C C/C(C)=C\CC(C1(C)C)CC(C(O)=C(C(C21C/C=C(C)\C)=O)C(C3=CC(O)=C(O)C=C3)=O)(C2=O)CC(C(C)=C)CC(O)C(C)=C O=C1C(C2=CC=C3OCOC3=C2)=C(OC4=C1C=C(C(OC(C)C)=C4)CCC)C COC1=C(O)C=CC(/C=C/C(OCCCCCCCCCCCCCC/C=C/C(OC)=O)=O)=C1 CCCCCC(O)CC(N(CCCN1CCCCN2CCCN(C(C3=CC=CC=C3)CC2=O)C)C)CC1=O OCC(O)COC(CCCCCCCCCCCCCCCCCCCCCCC(OCC(O)CO)=O)=O C/C(C)=C\CC/C(C)=C/CC1(C(C(C(C(O)=CC2=O)=C3C2(C/C=C(C)\C)C/C=C(C)\C)=O)=C(O3)C=C(O)C1=O)C/C=C(C)\C C=CC1=C(/C2=C/C(C@@([H])C)=NC3=C([C@@]4(O)C(OC)=O)/C5=C(C4=O)C(C)=C(N5)/C=C6C(CC)=C(C(/C=C1\N2)=N/6)C)C C/C(C)=C\CC@@([H])CC@@=O)C(C4=CC(O)=C(O)C=C4)=O)(C3=O)CC@@([H])C/C=C(C)\C C=CC1=C(/C2=C/C(C(C/3CCC(OC)=O)C)=NC3=C(C4(O)C(OC)=O)/C5=N/C(C(C)=C5C4=O)=C\C6=N/C(C(C)=C6CC)=C\C1=N2)C CCC(C(/N=C(O)/C(/N=C(O)/C(/N=C(O)/C(/N=C/O)C(C)C)C(O1)C)CC2=CC=C(OC)C=C2)C(N3C(/C(O)=N/C(C(N(C(C1=O)C(C)C)C)=O)CC(C)C)CCCN3)=O)C CCCCCCCC/C=C/CCCCCCCCCCCCCC(OCC(O)CO)=O OCCCCCCCCCCCCCCCCCCCCCCCC(OCC(O)CO)=O C=CC1=C(/C2=C/C(C(C/3CCC(OC)=O)C)=NC3=C(C4(O)C(OC)=O)/C5=C(C4=O)C(C)=C(N5)/C=C6C(CC)=C(C(/C=C1\N2)=N/6)C)C COC1=C(O)C=CC(/C=C/C(OCC2COC(CCCCCCCCCCCCCCCCCCCCCCCCCCO2)=O)=O)=C1 CCCCCCCCCCCCCCC(C(OC)=O)C(OC(C)=O)CCCCCCCCC CCCCCCCCCCCCC(O)C(O1)CCC1C(O)CCCCC(CC2CCCC(O2)CC(C3=O)=CC(O3)C)=O OCCCCCCCCCCCCCCCCCCCCCCCCCC(OCC(O)CO)=O CC(C(CCC(C1CC=C2C(CCC3C(CCC(O)C3(O)C)4C)=C4CCC12C)C)=C)C