Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning.
Qinghua WangZhe WangSheng TianLingling WangRongfan TangYang YuJingxuan GeTingjun HouHaiping HaoHuiyong SunPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- machine learning
- drug discovery
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- drug design
- machine learning methods
- information extraction
- machine learning algorithms
- data mining
- reinforcement learning
- active learning
- text mining
- computer vision
- pattern recognition
- explanation based learning
- knowledge representation
- natural language processing
- knowledge acquisition
- scientific data
- learning systems
- decision trees
- semi supervised learning
- early stage
- supervised learning
- machine learning approaches
- computer science
- artificial intelligence
- natural language
- structural models