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
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All datasetsBBBPBACESIDERTox21clintoxLipophilicityFreeSolvHIV datasetESOLQM7QM8QM9

Benchmark Results

#ModelMetricClaimedVerifiedStatus
1D-MPNNRMSE1.05—Unverified
2XGBoostRMSE0.99—Unverified
3ChemBERTa-2 (MTR-77M)RMSE0.89—Unverified
4ChemBFNRMSE0.88—Unverified
5SPMMRMSE0.81—Unverified
6ChemRL-GEMRMSE0.8—Unverified
7Uni-MolRMSE0.79—Unverified
8SMARMSE0.62—Unverified
9MPNNRMSE0.58—Unverified