ersilia-os / ersilia-self-service

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Model Inference: <model_name> <date> #29

Closed mariscalbrice closed 1 week ago

mariscalbrice commented 2 months ago

Model

Pharmacophore-guided molecular generation - eos69e6

Molecules

OC1C(C2=CC(O)=C(O)C(O)=C2)OC3=C(C(O)=CC(O)=C3)C1 O=C(OC1=CC(C2C(O)CC3=C(O2)C=C(O)C=C3O)=CC(O)=C1O)C4=CC(O)=C(O)C(O)=C4 O=C(OC1C(C2=CC(O)=C(O)C(O)=C2)OC3=C(C(O)=CC(O)=C3)C1)/C=C/C4=CC=C(O)C(OC)=C4 O=C(OC1C(C2=CC(O)=C(O)C(O)=C2)OC3=C(C(O)=CC(O)=C3)C1)/C=C/C4=CC=C(O)C=C4 OC1C(OCC2C(O)C(O)C(O)C(OCCC(O)CCCCC)O2)C(O)C(O)C(CO)O1 COc1ccc(c(oc2c3c(O)c(OC)c(O)c2)c(OC)c3=O)cc1 O=C1C(C2=CC=C(OCO3)C3=C2)=C(C)OC4=C1C=C(CCC)C(OC(C)C)=C4

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