Machine Learning Classification of Disrotatory IRC and Conrotatory Non-IRC Trajectory Motion for Cyclopropyl Radical Ring Opening

2021 ◽  
Author(s):  
Steven Maley ◽  
Jesse Melville ◽  
Spencer Yu ◽  
Matthew Teynor ◽  
Ryan Carlsen ◽  
...  
Keyword(s):  
Machine Learning ◽  
Quantitative Analysis ◽  
Ring Opening ◽  
Trajectory Analysis ◽  
Minimum Energy ◽  
Radical Ring ◽  
Machine Learning Classification ◽  
Standard Tool ◽  
Minimum Energy Pathway

Quasiclassical trajectory analysis is now a standard tool to analyze non-minimum energy pathway motion of organic reactions. However, due to the large amount of information associated with trajectories, quantitative analysis...

scholarly journals Machine Learning Classification of Disrotatory IRC and Conrotatory Non-IRC Trajectory Motion for Cyclopropyl Radical Ring Opening

2021 ◽  
Author(s):  
Steven Maley ◽  
Jesse Melville ◽  
Spencer Yu ◽  
Cal Hargis ◽  
Reid Hamilton ◽  
...  
Keyword(s):  
Machine Learning ◽  
Ring Opening ◽  
Supervised Machine Learning ◽  
Qualitative Assessment ◽  
Vibrational Modes ◽  
Radical Ring ◽  
Machine Learning Classification ◽  
Ring Opening Reaction ◽  
Learning Analysis

Transition-state features from trajectories were used for supervised machine learning analysis of the cyclopropyl radical ring opening reaction. Quantitative and qualitative assessment of features controlling disrotatory IRC versus conrotatory non-IRC motion and revealed that there are two key vibrational modes where their directional combination provides prediction of pathway motion. <br>

scholarly journals Machine Learning Classification of Disrotatory IRC and Conrotatory Non-IRC Trajectory Motion for Cyclopropyl Radical Ring Opening

2021 ◽  
Author(s):  
Steven Maley ◽  
Jesse Melville ◽  
Spencer Yu ◽  
Cal Hargis ◽  
Reid Hamilton ◽  
...  
Keyword(s):  
Machine Learning ◽  
Ring Opening ◽  
Supervised Machine Learning ◽  
Qualitative Assessment ◽  
Vibrational Modes ◽  
Radical Ring ◽  
Machine Learning Classification ◽  
Ring Opening Reaction ◽  
Learning Analysis

Transition-state features from trajectories were used for supervised machine learning analysis of the cyclopropyl radical ring opening reaction. Quantitative and qualitative assessment of features controlling disrotatory IRC versus conrotatory non-IRC motion and revealed that there are two key vibrational modes where their directional combination provides prediction of pathway motion. <br>

Multiclass machine learning classification of functional brain images for Parkinson's disease stage prediction

2020 ◽  
Vol 13 (5) ◽  
pp. 508-523 ◽  
Author(s):  
Guan‐Hua Huang ◽  
Chih‐Hsuan Lin ◽  
Yu‐Ren Cai ◽  
Tai‐Been Chen ◽  
Shih‐Yen Hsu ◽  
...  
Keyword(s):  
Machine Learning ◽  
Parkinson’S Disease ◽  
Parkinson's Disease ◽  
Disease Stage ◽  
Brain Images ◽  
Functional Brain ◽  
Machine Learning Classification

Handcrafted MRI radiomics and machine learning: Classification of indeterminate solid adrenal lesions

2021 ◽  
Vol 79 ◽  
pp. 52-58
Author(s):  
Arnaldo Stanzione ◽  
Renato Cuocolo ◽  
Francesco Verde ◽  
Roberta Galatola ◽  
Valeria Romeo ◽  
...  
Keyword(s):  
Machine Learning ◽  
Machine Learning Classification

scholarly journals Can the application of certain music information retrieval methods contribute to the machine learning classification of electrocardiographic signals?

Heliyon ◽  
2021 ◽  
Vol 7 (2) ◽  
pp. e06257
Author(s):  
Ennio Idrobo-Ávila ◽  
Humberto Loaiza-Correa ◽  
Rubiel Vargas-Cañas ◽  
Flavio Muñoz-Bolaños ◽  
Leon van Noorden
Keyword(s):  
Machine Learning ◽  
Information Retrieval ◽  
Music Information Retrieval ◽  
Machine Learning Classification ◽  
Information Retrieval Methods ◽  
Music Information
Sign in / Sign up

Export Citation Format

Share Document