Chemprop: A Machine Learning Package for Chemical Property Prediction.
Esther HeidKevin P. GreenmanYunsie ChungShih-Cheng LiDavid E. GraffFlorence H. VermeireHaoyang WuWilliam H. Green Jr.Charles McGillPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- machine learning
- prediction accuracy
- prediction algorithm
- prediction model
- knowledge acquisition
- text mining
- information extraction
- recursive neural networks
- text classification
- pattern recognition
- feature selection
- computer vision
- natural language
- natural language processing
- active learning
- model selection
- machine learning and statistical
- learning algorithm
- machine learning methods
- predictive modeling
- learning problems
- information retrieval
- data mining
- database
- protein secondary structure prediction
- machine learning approaches
- learning tasks
- learning systems
- unsupervised learning
- logic programs