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Found 3 papers, 1 papers with code
HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations
Publicly available collections of drug-like molecules have grown to comprise 10s of billions of possibilities in recent history due to advances in chemical synthesis.
High-Throughput Virtual Screening of Small Molecule Inhibitors for SARS-CoV-2 Protein Targets with Deep Fusion Models
Structure-based Deep Fusion models were recently shown to outperform several physics- and machine learning-based protein-ligand binding affinity prediction methods.
Improved Protein-ligand Binding Affinity Prediction with Structure-Based Deep Fusion Inference
We present fusion models to benefit from different feature representations of two neural network models to improve the binding affinity prediction.
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