SOTAVerified

Property Prediction

Property prediction involves forecasting or estimating a molecule's inherent physical and chemical properties based on information derived from its structural characteristics. It facilitates high-throughput evaluation of an extensive array of molecular properties, enabling the virtual screening of compounds. Additionally, it provides the means to predict the unknown attributes of new molecules, thereby bolstering research efficiency and reducing development times.

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 351–375 of 691 papers

TitleStatusHype
Cross-Modal Learning for Chemistry Property Prediction: Large Language Models Meet Graph Machine Learning—0
PDDFormer: Pairwise Distance Distribution Graph Transformer for Crystal Material Property Prediction—0
Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design—0
Molecular Graph Representation Learning Integrating Large Language Models with Domain-specific Small ModelsCode0
Advancements in Molecular Property Prediction: A Survey of Single and Multimodal Approaches—0
Out-of-distribution materials property prediction using adversarial learning based fine-tuning—0
LipidBERT: A Lipid Language Model Pre-trained on METiS de novo Lipid Library—0
SMILES-Mamba: Chemical Mamba Foundation Models for Drug ADMET Prediction—0
Advancing Molecular Machine Learning Representations with Stereoelectronics-Infused Molecular Graphs—0
Question Rephrasing for Quantifying Uncertainty in Large Language Models: Applications in Molecular Chemistry Tasks—0
GNN-SKAN: Harnessing the Power of SwallowKAN to Advance Molecular Representation Learning with GNNs—0
A Structured Framework for Predicting Sustainable Aviation Fuel Properties using Liquid-Phase FTIR and Machine Learning—0
Distribution Learning for Molecular Regression—0
RNACG: A Universal RNA Sequence Conditional Generation model based on Flow-Matching—0
Graph Residual based Method for Molecular Property Prediction—0
Enhancing material property prediction with ensemble deep graph convolutional networks—0
Guided Latent Slot Diffusion for Object-Centric Learning—0
A Large Encoder-Decoder Family of Foundation Models For Chemical LanguageCode0
Improved Uncertainty Estimation of Graph Neural Network Potentials Using Engineered Latent Space Distances—0
Pre-training with Fractional Denoising to Enhance Molecular Property Prediction—0
Leveraging large language models for nano synthesis mechanism explanation: solid foundations or mere conjectures?Code0
Token-Mol 1.0: Tokenized drug design with large language model—0
MolTRES: Improving Chemical Language Representation Learning for Molecular Property Prediction—0
FreeCG: Free the Design Space of Clebsch-Gordan Transform for Machine Learning Force Fields—0
Multi-Peptide: Multimodality Leveraged Language-Graph Learning of Peptide PropertiesCode0
Show:102550
← PrevPage 15 of 28Next →

No leaderboard results yet.