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 551–600 of 691 papers

TitleStatusHype
Low-cost machine learning approach to the prediction of transition metal phosphor excited state properties—0
Lyra: An Efficient and Expressive Subquadratic Architecture for Modeling Biological Sequences—0
Machine Learning - Driven Materials Discovery: Unlocking Next-Generation Functional Materials -- A minireview—0
Machine learning for accelerating effective property prediction for poroelasticity problem in stochastic media—0
Machine Learning for Material Characterization with an Application for Predicting Mechanical Properties—0
Material Microstructure Design Using VAE-Regression with Multimodal Prior—0
Material Property Prediction with Element Attribute Knowledge Graphs and Multimodal Representation Learning—0
MaterialsAtlas.org: A Materials Informatics Web App Platform for Materials Discovery and Survey of State-of-the-Art—0
A Materials Map Integrating Experimental and Computational Data via Graph-Based Machine Learning for Enhanced Materials Discovery—0
MatterChat: A Multi-Modal LLM for Material Science—0
MatWheel: Addressing Data Scarcity in Materials Science Through Synthetic Data—0
May the Force be with You: Unified Force-Centric Pre-Training for 3D Molecular Conformations—0
Message-Passing State-Space Models: Improving Graph Learning with Modern Sequence Modeling—0
MetaFAP: Meta-Learning for Frequency Agnostic Prediction of Metasurface Properties—0
Meta-Learning GNN Initializations for Low-Resource Molecular Property Prediction—0
MLPROP -- an open interactive web interface for thermophysical property prediction with machine learning—0
Multilingual Molecular Representation Learning via Contrastive Pre-training—0
MolCAP: Molecular Chemical reActivity pretraining and prompted-finetuning enhanced molecular representation learning—0
MolCPT: Molecule Continuous Prompt Tuning to Generalize Molecular Representation Learning—0
Uncertainty quantification of molecular property prediction using Bayesian neural network models—0
Molecular Property Prediction Based on Graph Structure Learning—0
Molecular Property Prediction by Semantic-invariant Contrastive Learning—0
Molecular Representation Learning by Leveraging Chemical Information—0
Molecular topological deep learning for polymer property prediction—0
Molecule Design by Latent Prompt Transformer—0
MoleHD: Ultra-Low-Cost Drug Discovery using Hyperdimensional Computing—0
MolGraph-xLSTM: A graph-based dual-level xLSTM framework with multi-head mixture-of-experts for enhanced molecular representation and interpretability—0
MolKD: Distilling Cross-Modal Knowledge in Chemical Reactions for Molecular Property Prediction—0
Mol-LLM: Multimodal Generalist Molecular LLM with Improved Graph Utilization—0
MolTextNet: A Two-Million Molecule-Text Dataset for Multimodal Molecular Learning—0
MoMa: A Modular Deep Learning Framework for Material Property Prediction—0
Multi-modal cascade feature transfer for polymer property prediction—0
Multi-modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery—0
MultiModal-Learning for Predicting Molecular Properties: A Framework Based on Image and Graph Structures—0
Multiparameter Persistent Homology for Molecular Property Prediction—0
Multi-scale Sinusoidal Embeddings Enable Learning on High Resolution Mass Spectrometry Data—0
Multi-task Learning with Domain Knowledge for Molecular Property Prediction—0
Neural Message Passing on High Order Paths—0
Neural Slot Interpreters: Grounding Object Semantics in Emergent Slot Representations—0
On Data Imbalance in Molecular Property Prediction with Pre-training—0
On Large-scale Evaluation of Embedding Models for Knowledge Graph Completion—0
On the importance of catalyst-adsorbate 3D interactions for relaxed energy predictions—0
Optimal Decision Making in High-Throughput Virtual Screening Pipelines—0
Orbital Graph Convolutional Neural Network for Material Property Prediction—0
Out-of-distribution materials property prediction using adversarial learning based fine-tuning—0
Partial Product Aware Machine Learning on DNA-Encoded Libraries—0
PEMP: Leveraging Physics Properties to Enhance Molecular Property Prediction—0
PepDoRA: A Unified Peptide Language Model via Weight-Decomposed Low-Rank Adaptation—0
Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction—0
Pix2Geomodel: A Next-Generation Reservoir Geomodeling with Property-to-Property Translation—0
Show:102550
← PrevPage 12 of 14Next →

No leaderboard results yet.