TANGO: A high through-put conformation generation and semiempirical method-based optimization tool for ligand molecules.
Vivek GavaneShruti KoulgiVinod JaniMallikarjunachari V. N. UppuladinneUddhavesh SonavaneRajendra JoshiPublished in: J. Comput. Chem. (2019)
Keyphrases
- experimental evaluation
- high precision
- optimization algorithm
- optimization method
- high accuracy
- detection method
- combinatorial optimization
- optimization process
- computational cost
- neural network
- segmentation algorithm
- minimum energy
- optimization procedure
- classification method
- support vector machine svm
- probabilistic model
- dynamic programming
- cost function
- significant improvement
- prior knowledge