🚀 Model Inference Run 🤖 eos9p4a: Drug-likeness scoring based on unsupervised learning 📅 2024-09-28

[mariscalbrice]

Model

Drug-likeness scoring based on unsupervised learning - eos9p4a

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]]

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.

[github-actions[bot]]

Greetings! This is a friendly reminder that we only keep results for 30 days. If you have not downloaded your results, please do so within the next 5 days.