Research graph
References from Activity-cliff awareness enables robust graph learning for molecular property prediction. Local targets link to admitted publications; unresolved targets remain external evidence.
10.1038/s41586-023-05905-z
10.1038/s41586-023-05905-z · 2023 · External reference
10.1021/acs.jcim.9b00237
10.1021/acs.jcim.9b00237 · 2019 · External reference
10.1038/s42256-022-00447-x
10.1038/s42256-022-00447-x · 2022 · External reference
10.1038/s41467-021-23720-w
10.1038/s41467-021-23720-w · 2021 · External reference
10.1038/s42256-022-00501-8
10.1038/s42256-022-00501-8 · 2022 · External reference
10.1039/d2dd00077f
10.1039/d2dd00077f · 2022 · External reference
10.1038/s41467-022-35692-6
10.1038/s41467-022-35692-6 · 2023 · External reference
10.1186/s13321-024-00848-7
10.1186/s13321-024-00848-7 · 2024 · External reference
10.18653/v1/2023.emnlp-main.70
10.18653/v1/2023.emnlp-main.70 · External reference
10.1038/s42256-022-00557-6
10.1038/s42256-022-00557-6 · 2022 · External reference
10.1093/bib/bbad404
10.1093/bib/bbad404 · 2023 · External reference
10.1093/bioinformatics/btac545
10.1093/bioinformatics/btac545 · 2022 · External reference
10.1007/s10822-021-00380-y
10.1007/s10822-021-00380-y · External reference
10.1038/s42256-021-00301-6
10.1038/s42256-021-00301-6 · 2021 · External reference
10.1186/s13321-022-00650-3
10.1186/s13321-022-00650-3 · 2022 · External reference
10.1038/s41467-023-43214-1
10.1038/s41467-023-43214-1 · 2023 · External reference
10.1016/j.cell.2020.01.021
10.1016/j.cell.2020.01.021 · 2020 · External reference
10.1186/s13321-020-00479-8
10.1186/s13321-020-00479-8 · 2021 · External reference
10.1021/acs.jcim.2c01073
10.1021/acs.jcim.2c01073 · 2022 · External reference
10.1021/acs.jcim.1c01163
10.1021/acs.jcim.1c01163 · 2022 · External reference
10.1186/s13321-023-00708-w
10.1186/s13321-023-00708-w · 2023 · External reference
10.52202/075280-2827
10.52202/075280-2827 · External reference
10.1038/s41467-023-41948-6
10.1038/s41467-023-41948-6 · 2023 · External reference
10.1038/s41467-023-41967-3
10.1038/s41467-023-41967-3 · 2023 · External reference
10.1039/d0cs00098a
10.1039/d0cs00098a · 2020 · External reference
10.1021/acsomega.9b02221
10.1021/acsomega.9b02221 · 2019 · External reference
10.1021/jm201706b
10.1021/jm201706b · 2012 · External reference
10.1038/s41598-020-71696-2
10.1038/s41598-020-71696-2 · 2020 · External reference
10.1021/ci400597d
10.1021/ci400597d · 2013 · External reference
10.1021/acs.jcim.9b00631
10.1021/acs.jcim.9b00631 · 2019 · External reference
10.1186/s13321-021-00525-z
10.1186/s13321-021-00525-z · 2021 · External reference
10.1021/acsomega.2c02738
10.1021/acsomega.2c02738 · 2022 · External reference
10.1007/s10822-024-00566-0
10.1007/s10822-024-00566-0 · 2024 · External reference
10.1021/ja01062a035
10.1021/ja01062a035 · 1964 · External reference
10.1021/jm00334a001
10.1021/jm00334a001 · 1964 · External reference
10.1021/ci300306a
10.1021/ci300306a · 2012 · External reference
10.52202/075280-0786
10.52202/075280-0786 · External reference
Unresolved reference
External reference
10.1038/nrd1467
10.1038/nrd1467 · 2004 · External reference
10.1021/acs.jmedchem.0c01608
10.1021/acs.jmedchem.0c01608 · External reference
10.1038/nrd1086
10.1038/nrd1086 · 2003 · External reference
10.1021/acs.jcim.3c01530
10.1021/acs.jcim.3c01530 · 2023 · External reference
10.1021/acs.jcim.2c00327
10.1021/acs.jcim.2c00327 · 2022 · External reference
10.1186/s13321-022-00676-7
10.1186/s13321-022-00676-7 · 2023 · External reference
10.1186/s13321-023-00769-x
10.1186/s13321-023-00769-x · 2023 · External reference
10.1002/wics.51
10.1002/wics.51 · 2010 · External reference
10.1021/acs.jcim.3c01250
10.1021/acs.jcim.3c01250 · 2023 · External reference
10.1021/ci060117s
10.1021/ci060117s · External reference
10.1093/nar/gkr777
10.1093/nar/gkr777 · 2012 · External reference
10.1093/nar/gkt1031
10.1093/nar/gkt1031 · 2014 · External reference
10.1080/17460441.2019.1593371
10.1080/17460441.2019.1593371 · 2019 · External reference
10.1109/cvpr.2015.7298682
10.1109/cvpr.2015.7298682 · External reference
Unresolved reference
External reference
Unresolved reference
External reference
Unresolved reference
External reference
Unresolved reference
External reference
Unresolved reference
External reference
10.1186/s13321-020-0416-x
10.1186/s13321-020-0416-x · 2020 · External reference
10.1021/ci900450m
10.1021/ci900450m · 2010 · External reference
10.5281/zenodo.20608055
10.5281/zenodo.20608055 · 2026 · External reference
10.1101/2024.06.12.598655
10.1101/2024.06.12.598655 · External reference
10.5281/zenodo.20607015
10.5281/zenodo.20607015 · 2026 · External reference
