Energetic Analysis of Conjugated Hydrocarbons Using the Interacting Quantum Atoms Method.
Jesús Jara-CortésJesús Hernández-TrujilloPublished in: J. Comput. Chem. (2018)
Keyphrases
- high accuracy
- detection method
- preprocessing
- dynamic programming
- objective function
- prior knowledge
- experimental evaluation
- support vector machine
- spectral analysis
- machine learning
- evaluation method
- fully automatic
- high precision
- matching algorithm
- mathematical model
- detection algorithm
- theoretical analysis
- linear combination
- pairwise
- feature selection
- genetic algorithm