SOTAVerified

Molecular Property Prediction

Molecular property prediction is the task of predicting the properties of a molecule from its structure.

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 1–10 of 354 papers

TitleStatusHype
Acquiring and Adapting Priors for Novel Tasks via Neural Meta-Architectures—0
Combining Graph Neural Networks and Mixed Integer Linear Programming for Molecular Inference under the Two-Layered Model—0
TRIDENT: Tri-Modal Molecular Representation Learning with Taxonomic Annotations and Local Correspondence—0
Descriptor-based Foundation Models for Molecular Property PredictionCode2
Robust Molecular Property Prediction via Densifying Scarce Labeled DataCode0
BioLangFusion: Multimodal Fusion of DNA, mRNA, and Protein Language Models—0
The Catechol Benchmark: Time-series Solvent Selection Data for Few-shot Machine LearningCode0
Graph Neural Networks in Modern AI-aided Drug Discovery—0
Recent Developments in GNNs for Drug Discovery—0
AdaptMol: Adaptive Fusion from Sequence String to Topological Structure for Few-shot Drug Discovery—0
Show:102550
← PrevPage 1 of 36Next →
All datasetsBBBPBACESIDERTox21clintoxLipophilicityFreeSolvHIV datasetESOLQM7QM8QM9

Benchmark Results

#ModelMetricClaimedVerifiedStatus
1N-GramXGBRMSE2.07—Unverified
2GROVER (large)RMSE0.82—Unverified
3GROVER (base)RMSE0.82—Unverified
4N-GramRFRMSE0.81—Unverified
5ChemBERTa-2 (MTR-77M)RMSE0.8—Unverified
6ChemBFNRMSE0.75—Unverified
7PretrainGNNRMSE0.74—Unverified
8SPMMRMSE0.71—Unverified
9D-MPNNRMSE0.68—Unverified
10ChemRL-GEMRMSE0.66—Unverified