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šŸš€ Model Inference Run šŸ¤– eos7d58: ADMET properties prediction šŸ“… 2024-09-28 #88

Open mariscalbrice opened 6 hours ago

mariscalbrice commented 6 hours ago

Model

ADMET properties prediction - eos7d58

Molecules

COc1ccc(c(oc2cc(O)c(OC)c(O)c23)c(OC)c3=O)cc1 OCC1C(O)C(O)C(O)C(OC2=C(O)C=C(COC(C3=CC(O)=C(O)C(O)=C3OC4=CC(C(OCC5=CC(O)=C(OC6C(O)C(O)C(O)C(O6)COC(C7=CC(O)=C(O)C(O)=C7)=O)C(O)=C5)=O)=CC(O)=C4O)=O)C=C2O)O1 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 OC(C=C1O2)=CC(O)=C1CC(OC(/C=C/C3=CC=CC=C3)=O)C2C4=CC(O)=C(O)C(O)=C4 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 CCCCCCCCCC/C=C/C(O)CCC(O)C(N)CO O=C(C(NC(C1=CC=CC=C1)=O)CC2=CC=CC=C2)OCC(NC(C3=CC=CC=C3)=O)CC4=CC=CC=C4 CCCCCCCCCC(O)CCCC(O)C(O)CCCCCCC(O)=O CCCCCCCCCCCCCC(OC)C/C=C/CC/C(O)=N/C(COC)CO O=C1C(C2=CC=C3OCOC3=C2)=C(OC4=C1C=C(C(OC(C)C)=C4)CCC)C CCCCCCCCCCCCC/C(O)=N/C(C(O)C(O)C(O)CCCCCC)CO COC1=C(O)C=CC(/C=C/C(OCCCCCCCCCCCCCC/C=C/C(OC)=O)=O)=C1 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 CCCCC/C=C/C/C=C/CCCCCCCCC(OC(COC1C(O)C(O)C(O)C(O1)COC2C(O)C(O)C(O)C(O2)CO)COC(CCCCCCCCCCCCCCC)=O)=O C/C(C)=C\CC@@(C[C@]1(C2=O)C(OC(C)(C)C@(C/C=C(C)\C)C1)=C(C(C3=CC(O)=C(C=C3)O)=O)C([C@@]42C/C=C(C)\C)=O)C4(C)C CCCCCCCCCCCCCCCC(OC1C(C(C(O)CC1OC2C(O)C(O)C(O)C(O2)CO3)CCCCC)/C=C\CCCCC3=O)=O 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 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 CCCC1(C2C(CC(O2)C(O3)C(CC(C3(O)CO)C)C)C)CC(OC4CCC(OC)C(O4)C)C(O1)C(CCC56CC(OC)C(C(O5)C(C(OC)C(C(O)C)CC)C)C)(O6)C CCCCCCCCCCCCC(O)C(O1)CCC1C(O)CC(OC(C)=O)CCCCC(CCCCC(O)CCC(C2=O)=CC(O2)C)=O COC1=C(O)C=CC(/C=C/C(OCC2COC(CCCCCCCCCCCCCCCCCCCCCCCCCCO2)=O)=O)=C1

github-actions[bot] commented 6 hours ago

Greetings @mariscalbrice!

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.