PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction Prediction Model for Binding Affinity Scoring and Virtual Screening.
Seokhyun MoonSang-Yeon HwangJaechang LimWoo Youn KimPublished in: CoRR (2023)
Keyphrases
- virtual screening
- prediction model
- deep learning
- drug discovery
- similarity searching
- high throughput
- regression model
- binding sites
- unsupervised learning
- scoring function
- machine learning
- neural network
- mental models
- weakly supervised
- metric space
- pairwise
- similarity search
- chemical compounds
- biological data
- search tools
- sequence data
- biological systems
- input image
- probabilistic model
- data mining