Differential Multimolecule Fingerprint for Similarity Search─Making Use of Active and Inactive Compound Sets in Virtual Screening.
Michael C. HutterPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- similarity search
- similarity searching
- virtual screening
- metric space
- distance function
- similarity queries
- multimedia databases
- high dimensional
- similarity measure
- query processing
- knn
- r tree
- indexing techniques
- high dimensional data
- vector space
- drug discovery
- access methods
- data management
- machine learning
- data sets
- feature extraction
- decision trees