Exploiting Ligand Additivity for Transferable Machine Learning of Multireference Character Across Known Transition Metal Complex Ligands.
Chenru DuanAdriana J. LaderaJulian C.-L. LiuMichael G. TaylorIsuru R. AriyarathnaHeather J. KulikPublished in: CoRR (2022)
Keyphrases
- machine learning
- drug design
- machine learning algorithms
- neural network
- virtual screening
- learning systems
- information extraction
- computer vision
- knowledge discovery
- knowledge acquisition
- model selection
- learning problems
- learning algorithm
- data analysis
- hidden markov models
- decision trees
- natural language processing
- computational intelligence
- feature selection
- high throughput
- complex data
- belief functions
- artificial intelligence