The E-State as the Basis for Molecular Structure Space Definition and Structure Similarity.
Lowell H. HallLemont B. KierPublished in: J. Chem. Inf. Comput. Sci. (2000)
Keyphrases
- molecular structure
- geometric structure
- similarity measure
- distance function
- machine learning
- genetic algorithm
- higher dimensional
- website
- similarity metric
- structural similarities
- database
- complex structures
- vector space
- hierarchical structure
- user defined
- euclidean distance
- dynamic programming
- search space
- reinforcement learning
- feature selection
- information retrieval
- data sets