Research graph
References from GRASP: Graph Representation Learning with Assay Supervision for Molecular Properties. Local targets link to admitted publications; unresolved targets remain external evidence.
Explainable active learning framework for ligand binding affinity prediction
10.1039/d5dd00436e · 2026 · External reference
A fingerprints based molecular property prediction method using the bert model
10.1186/s13321-022-00650-3 · 2022 · External reference
10.1021/acs.jcim.0c00675
10.1021/acs.jcim.0c00675 · External reference
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10.1093/nar/gkad1004
10.1093/nar/gkad1004 · External reference
10.6019/chembl.database.36
10.6019/chembl.database.36 · External reference
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10.1021/ci100050t
10.1021/ci100050t · External reference
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10.1021/acs.jcim.5c02063
10.1021/acs.jcim.5c02063 · External reference
10.1021/acs.jcim.5c02106
10.1021/acs.jcim.5c02106 · External reference
10.26434/chemrxiv.15009342/v1
10.26434/chemrxiv.15009342/v1 · External reference
10.1021/acs.jcim.3c00160
10.1021/acs.jcim.3c00160 · External reference
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Does gnn pretraining help molecular representation?
2022 · External reference
On the scalability of gnns for molecular graphs
2024 · External reference
10.64898/2026.06.19.733375
10.64898/2026.06.19.733375 · External reference
Self-supervised graph transformer on large-scale molecular data
2020 · External reference
Molecular contrastive learning of representations via graph neural networks
10.1038/s42256-022-00447-x · 2022 · External reference
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10.1038/s42256-022-00580-7
10.1038/s42256-022-00580-7 · External reference
10.26434/chemrxiv-2022-jjm0j-v4
10.26434/chemrxiv-2022-jjm0j-v4 · External reference
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10.1038/s41467-024-53751-y
10.1038/s41467-024-53751-y · External reference
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10.1109/icde60146.2024.00223
10.1109/icde60146.2024.00223 · External reference
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10.1021/acs.jcim.4c00220
10.1021/acs.jcim.4c00220 · External reference
