Tools Molecule - Similarity Search with Open Babel

Similarity Search with Open Babel

Q

Where to find FAQ (Frequently Asked Questions) on Similarity Search with Open Babel?

✍: FYIcenter.com

A

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

What Is Tanimoto coefficient

"babel -ofpt -xs" - Display Fingerprint Fragments

"babel" - FP2 Exhaustive Fingerprint Fragments

"babel" - FP2 Fingerprint Fragment Ends at Ring

"babel -H fpt" - Fingerprint Help Information

⇒ "babel -o fpt ..." Command - Similarity Search

⇐ Substructure Search with SMARTS Expressions

⇑⇑ Open Babel Tutorials

2020-06-04, 157👍, 0💬

Substructure Search with Wildcard Atom "*"
How to use Wildcard Atom in a substructure search using "babel" commands? You can use "*" in a SMARTS string as a wildcard atom to represent "ANY" atom in a substructure search using "babel" commands. Here are some examples of substructure matching with a wildcard atom "*" in the molecule pattern: f... 2020-06-08, 218👍, 0💬

What Are SMARTS Expressions
What are SMARTS expressions? SMARTS expressions are divided into 3 types: 1. Atom Expressions - An expression that can be evaluated to an atom pattern using atom operations on atoms and atom expressions. An atom expression must be enclosed in square bracktes, if it is not a single simple atom symbol... 2020-06-08, 200👍, 0💬

Other Open Babel Commands
Where to find FAQ (Frequently Asked Questions) on Open Babel Commands other than the format converter? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Open Babel Commands other than the format converter. List of Open Babel Commands "obchiral" -... 2020-11-22, 176👍, 0💬

"babel -H fpt" - Fingerprint Help Information
How to get help information on Open Babel Fingerprints? You can use the "babel -H fpt" command to get help information on Open Babel Fingerprints: fyicenter$ babel -H fpt fpt Fingerprint format Generate or display molecular fingerprints. This format constructs and displays fingerprints and (for mult... 2020-11-22, 166👍, 0💬

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