Tin Tunjic
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| title | conference | date |
|---|---|---|
| Graph Neural Networks in Drug Discovery | DSC DACH 2023 | 2023-04-20 |
Compares a fingerprint multitask classifier (ECFP, 1,024 bits) to graph approaches on Tox21, 7,800 compounds, 12 tasks, using DeepChem + RDKit; fingerprint… | ||
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