Analogs Finder¶
Analogs finder is a python based query-search engine for drug discovery. It allows the user to perform queries based on molecule similarity or substructure matching to retrieve similar analogs from your initial molecule.
Github : https://github.com/danielSoler93/analogs_finder
Molecule query and its search result:
Documentation¶
- Getting Started
- From python API
- Download examples
- Load your query molecule and your database
- Analyze your dataset
- Most Similars n Molecules
- Tanimoto Similarity Search
- Substructure Search
- Combinatorial Substructure Search
- Similarity and Substructure hybrid search
- Use different fingerprints
- Use all four fingerprints to query one database with different tresholds
- Turbo search method:
- PostFilter by:
- From Command Line
- Analyze your dataset
- N most similar structures
- Tanimoto similarity search
- Search for one or more substructure
- Search for at least one of the substructures in each sdf file
- Search for similarity and substructure
- Change fingerprint type
- Use all fingerprints in one job with different tresholds
- Turbo search method:
- PostFilter by:
- From python API