Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)
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Updated
Jul 6, 2022 - Python
Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)
I predicted the pCHEMBL values, AlogP values, Molecular Weight and nunmber of Lipinski's Rule of 5 Violations of a biomolecule by end to end training multiple pretrained Language models, on Dopamine D2 active compounds sourced from the CHeMBL database.
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