Collections:
Similarity Search with Open Babel
Where to find FAQ (Frequently Asked Questions) on Similarity Search with Open Babel?
✍: FYIcenter.com
Here is a list of tutorials to answer many frequently asked questions
compiled by FYIcenter.com team
on Similarity Search with Open Babel.
"babel -o fpt ..." Command - Similarity Search
Fingerprint Types Supported in Open Babel
Substructure Search with Fingerprints
Generate Fingerprint of Single Molecule
"babel -ofpt -xs" - Display Fingerprint Fragments
"babel" - FP2 Exhaustive Fingerprint Fragments
⇒ "babel -o fpt ..." Command - Similarity Search
2020-12-22, 1413🔥, 0💬
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Molecule Summary: ID: FYI-1002772 Names: InChIKey: BUCUUKPPIOGRJC-UHFFFAOYS A-NSMILES: CCCCCCCCCCCOC...
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Molecule Summary: ID: FYI-1003656 Names: InChIKey: JURQNGUJDUAALK-UHFFFAOYS A-NSMILES: Cc1cc(Cl)ccc1...