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Molecular Property Prediction On Bbbp 1

Metrics

ROC-AUC

Results

Performance results of various models on this benchmark

Paper Title
DumplingGNN96.4Dumpling GNN: Hybrid GNN Enables Better ADC Payload Activity Prediction Based on Chemical Structure
ChemBFN95.74A Bayesian Flow Network Framework for Chemistry Tasks
MTL-BERT93.0Pushing the boundaries of molecular property prediction for drug discovery with multitask learning BERT enhanced by SMILES enumeration
XGBoost90.5Accurate ADMET Prediction with XGBoost
SELFormer90.2SELFormer: Molecular Representation Learning via SELFIES Language Models
STL-BERT89.6Pushing the boundaries of molecular property prediction for drug discovery with multitask learning BERT enhanced by SMILES enumeration
Cano-BERT89.2Pushing the boundaries of molecular property prediction for drug discovery with multitask learning BERT enhanced by SMILES enumeration
AttrMasking89.2Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
S-CGIB88.75±0.49Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck
AttentiveFP85.5Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
MolXPT80.5 ± 0.5MolXPT: Wrapping Molecules with Text for Generative Pre-training
Deep-CBN75.8Integrating convolutional layers and biformer network with forward-forward and backpropagation training
SMA75.0Self-Guided Masked Autoencoders for Domain-Agnostic Self-Supervised Learning
SPMM73.3Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model
Uni-Mol72.9Uni-Mol: A Universal 3D Molecular Representation Learning Framework
Uni-Mol72.9Galactica: A Large Language Model for Science
ChemBERTa-2 (MTR-77M)72.8ChemBERTa-2: Towards Chemical Foundation Models
ChemRL-GEM72.4ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction
D-MPNN71.0Analyzing Learned Molecular Representations for Property Prediction
GROVER (base)70.0Self-Supervised Graph Transformer on Large-Scale Molecular Data
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Molecular Property Prediction On Bbbp 1 | SOTA | HyperAI