Open AccessLearning the Edit Costs of Graph Edit Distance Applied to Ligand-Based Virtual Screening
Author(s) -
Carlos Garcia-Hernandez,
Alberto Fernández,
Francesc Serratosa
Publication year - 2020
Publication title -
current topics in medicinal chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.706
H-Index - 116
eISSN - 1873-4294
pISSN - 1568-0266
DOI - 10.2174/1568026620666200603122000
Subject(s) - edit distance , computer science , benchmarking , virtual screening , graph , data mining , theoretical computer science , pharmacophore , artificial intelligence , bioinformatics , marketing , business , biology
Graph edit distance is a methodology used to solve error-tolerant graph matching. This methodology estimates a distance between two graphs by determining the minimum number of modifications required to transform one graph into the other. These modifications, known as edit operations, have an edit cost associated that has to be determined depending on the problem.