Implementation of machine learning protocols to predict the hydrolysis reaction properties of organophosphorus substrates using descriptors of electron density topology.
Vlada V. PetrovaAnton V. DomninYuri B. PorozovPavel O. KuliaevYaroslav V. SolovevPublished in: J. Comput. Chem. (2024)
Keyphrases
- machine learning
- active learning
- machine learning algorithms
- feature selection
- computer science
- artificial intelligence
- neural network
- learning tasks
- cryptographic protocols
- topological properties
- small world
- efficient implementation
- machine learning methods
- keypoints
- knowledge acquisition
- support vector machine
- knowledge representation
- feature vectors
- image retrieval
- pattern recognition
- database systems