Laguerre-Intersection Method for Implicit Solvation.

Michelle Hatch Hummel Bihua Yu Carlos Simmerling Evangelos A. Coutsias

Published in: Int. J. Comput. Geom. Appl. (2018)

Keyphrases

cost function
computationally efficient
high accuracy
synthetic data
high precision
detection method

clustering method
mathematical model
theoretical analysis
computational cost
experimental evaluation
significant improvement

objective function
fully automatic
optimization method
machine learning
intersection points

classification method
error rate
input data
computational complexity
similarity measure