Predicting Thermodynamic Properties of Alkanes by High-Throughput Force Field Simulation and Machine Learning.
Zheng GongYanze WuLiang WuHuai SunPublished in: J. Chem. Inf. Model. (2018)
Keyphrases
- high throughput
- machine learning
- force field
- microarray
- genome wide
- systems biology
- biological data
- genomic data
- data acquisition
- mass spectrometry data
- protein protein interactions
- proteomic data
- mass spectrometry
- active contours
- active contour model
- model selection
- image analysis
- data analysis
- deformable models
- gene expression
- image restoration
- d objects
- gradient field
- pattern recognition