The Photoswitch Dataset: A Molecular Machine Learning Benchmark for the Advancement of Synthetic Chemistry.
Aditya R. ThawaniRyan-Rhys GriffithsArian JamasbAnthony BourachedPenelope JonesWilliam McCorkindaleAlexander A. AldrickAlpha A. LeePublished in: CoRR (2020)
Keyphrases
- machine learning
- real world
- learning algorithm
- chemical reactions
- feature selection
- benchmark datasets
- machine learning methods
- learning tasks
- data analysis
- explanation based learning
- three dimensional
- database
- drug discovery
- reinforcement learning
- real images are presented
- knowledge representation
- text mining
- data mining
- machine learning algorithms
- supervised machine learning
- computational biology
- learning problems
- learning systems
- data generator
- knowledge acquisition
- text classification
- natural language processing
- information extraction
- knowledge discovery
- computer science
- face recognition
- image segmentation
- decision trees
- computer vision
- genetic algorithm