PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks.
Alejandro Varela-RialIain MaryanowMaciej MajewskiStefan DoerrNikolai SchapinJosé Jiménez-LunaGianni De FabritiisPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- neural network
- drug design
- pattern recognition
- protein sequences
- virtual screening
- protein protein
- drug discovery
- artificial neural networks
- back propagation
- protein structure
- protein structure prediction
- subcellular localization
- protein protein interactions
- amino acids
- fuzzy logic
- multi layer perceptron
- multi layer
- protein function
- neural nets
- feed forward