Login / Signup
An automated method for graph-based chemical space exploration and transition state finding.
Pablo Ramos-Sánchez
Jeremy N. Harvey
José A. Gámez
Published in:
J. Comput. Chem. (2023)
Keyphrases
</>
dynamic programming
computational cost
objective function
significant improvement
experimental evaluation
detection method
segmentation method
mathematical model
high precision
fully automatic
neural network
image sequences
pairwise
support vector machine svm
synthetic data
transition model