Share your thoughts, 1 month free Claude Pro on us
See more
Feedback
Search any
task
Search any
task
SOTA Molecular Property Classification benchmarks and papers with code | Wizwand
Share your thoughts, 1 month free Claude Pro on us
See more
Home
/
Tasks
Molecular Property Classification
Benchmarks
Dataset Name
SOTA Method
Dataset Name
SOTA Method
Metric
Trend
Results
Last Updated
ClinTox (scaffold)
Hi-GMAE-G
ROC-AUC
0.864
65
4mo ago
MoleculeNet BBBP
MolReFlect
ROC AUC
89.25
59
2mo ago
MoleculeNet BACE
MolXPT
ROC AUC
88.4
47
2mo ago
BACE (MoleculeNet) scaffold (test)
DMP(TF+GNN)
ROC-AUC
0.894
44
2mo ago
MoleculeNet ClinTox
Chem-GMNet
ROC-AUC
99.5
39
2mo ago
HIV (scaffold)
APT
ROC AUC
0.789
25
4mo ago
MoleculeNet SIDER
LlaSMol
ROC-AUC
0.784
21
4mo ago
MoleculeNet
MOLAR
HIV Accuracy
67.7
17
1mo ago
MF-PCBA Noisy7
MOLAR
NSD2
84.6
17
1mo ago
MoleculeNet BBBP, BACE, ClinTox, SIDER, Tox21
MMGNN-3D
BBBP
95.6
13
1mo ago
MoleculeNet HIV
MolXPT
ROC-AUC
0.781
13
4mo ago
MoleculeNet Linear Probe
C-FREEMM-SUB
BBBP Accuracy
73.8
11
1mo ago
MoleculeNet
DMP(TF+GNN)
Clintox Accuracy
95.6
6
4mo ago
AMES
Twin-bootstrap
Delta ID Churn
-8.3
5
2mo ago
BBBP
MC dropout
Delta ID-Churn
0.6
5
2mo ago
BBB-Martins
Twin-bootstrap
Delta ID Churn
-7.4
5
2mo ago
MOF-thermal
MC dropout
∆ id-churn
-1.6
5
2mo ago
TADF
Bagging
∆ id-churn
-6
5
2mo ago
BACE (dev)
MC dropout
Δ ID Churn
0.3
5
2mo ago
Pgp
Deep Ens.
Delta ID-Churn
0.3
5
2mo ago
CYP2D6-Sub
Twin-bootstrap
∆ ID-Churn
-9.3
5
2mo ago
DILI
MC dropout
Delta ID-Churn
1.1
5
2mo ago
Therapeutic Data Commons (TDC) Held-out
BOLEK SMILES
ClinTox
0.576
4
2mo ago
ClinTox GROVER split (test)
DMP_TF
ROC AUC
96.8
3
4mo ago
SIDER GROVER split (test)
DMP_TF
ROC AUC
69.5
3
4mo ago
Showing 25 of 26 rows
25 / page
50 / page
100 / page
1
2
Search any
task
Search any
task
Privacy Policy
Terms of Service
FAQs
Swarm Docs
