Neural Model-Based Similarity Prediction for Compounds with Unknown Structures.
Eugenio BorzoneLeandro Ezequiel Di PersiaMatias GerardPublished in: ICAI (2022)
Keyphrases
- molecular structure
- prediction accuracy
- network architecture
- similarity measure
- chemical compounds
- prediction algorithm
- prediction model
- similarity function
- associative memory
- liquid state machine
- structural features
- euclidean distance
- experimental data
- neural network
- prediction error
- similarity metric
- image quality
- biologically plausible
- distance measure
- functional properties
- genetic algorithm
- distance metric
- edit distance
- distance function
- model free
- mobile robot
- wet lab