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Molecular Property Prediction on ChEMBL temporal 2022 (test)

Molecular Property Prediction on ChEMBL temporal 2022 (test)

0.838ROC-AUCNESTDRUG

Updated 7mo ago

Evaluation results

Method	Links
NESTDRUG2026.04		0.838

State-of-the-art paper

NESTDRUG

When Does Context Help? A Systematic Study of Target-Conditional Molecular Property Prediction

Dataset

ChEMBL

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Related benchmarks

Hit discovery (DMTA replay) on DUD-E Virtual Screening on DUD-E 10 diverse targets Molecular Property Prediction on ChEMBL temporal split 2021 (test)Molecular Property Prediction on ChEMBL temporal split 2023 (test)Molecular Property Prediction on ChEMBL temporal split 2024 (test)

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