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

Showing 301310 of 691 papers

TitleStatusHype
Multi-modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery0
Revisiting Graph Neural Networks on Graph-level Tasks: Comprehensive Experiments, Analysis, and Improvements0
FastCHGNet: Training one Universal Interatomic Potential to 1.5 Hours with 32 GPUs0
Virtual Nodes Can Help: Tackling Distribution Shifts in Federated Graph LearningCode0
Data-Driven Self-Supervised Graph Representation LearningCode0
EvoLlama: Enhancing LLMs' Understanding of Proteins via Multimodal Structure and Sequence Representations0
Category-Specific Topological Learning of Metal-Organic Frameworks0
RingFormer: A Ring-Enhanced Graph Transformer for Organic Solar Cell Property PredictionCode0
Language model driven: a PROTAC generation pipeline with dual constraints of structure and property0
Tokenizing 3D Molecule Structure with Quantized Spherical Coordinates0
Show:102550
← PrevPage 31 of 70Next →

No leaderboard results yet.