JOELib
title: "JOELib" type: doc version: 1 created: 2026-02-28 author: "Wikipedia contributors" status: active scope: public tags: ["free-science-software", "free-software-programmed-in-java", "computational-chemistry-software", "science-software-for-linux", "software-using-the-gnu-general-public-license"] topic_path: "science/chemistry" source: "https://en.wikipedia.org/wiki/JOELib" license: "CC BY-SA 4.0" wikipedia_page_id: 0 wikipedia_revision_id: 0
::data[format=table title="Infobox software"]
| Field | Value |
|---|---|
| name | JOELib |
| logo | Joelib2 logo.png |
| logo alt | Rather Hindi-looking characters forming the word JOELib in the fictional Tengwar script of J. R. R. Tolkien, followed by a Roman numeral 2. |
| logo caption | JOELib2 logo, which is the word JOELib written in the fictional Tengwar script of J. R. R. Tolkien, followed by a Roman numeral 2. |
| screenshot | |
| author | Joerg Kurt Wegner |
| developer | JOELib development team |
| released | |
| latest release version | 2007-03-03 |
| latest release date | |
| latest preview version | 2009-06-08 |
| latest preview date | |
| programming language | Java |
| operating system | Cross-platform: Windows, Unix, Linux, macOS |
| platform | IA-32, x86-64 |
| language | English |
| genre | Cheminformatics, molecular modelling |
| license | GPL 2.0 |
| website | |
| :: |
|name = JOELib |logo = Joelib2 logo.png |logo alt = Rather Hindi-looking characters forming the word JOELib in the fictional Tengwar script of J. R. R. Tolkien, followed by a Roman numeral 2. |logo caption = JOELib2 logo, which is the word JOELib written in the fictional Tengwar script of J. R. R. Tolkien, followed by a Roman numeral 2. |screenshot = |screenshot alt = |caption = |author = Joerg Kurt Wegner |developer = JOELib development team |released = |latest release version = 2007-03-03 |latest release date = |latest preview version =2009-06-08 |latest preview date = |programming language = Java |operating system = Cross-platform: Windows, Unix, Linux, macOS |platform = IA-32, x86-64 |size = |language = English |genre = Cheminformatics, molecular modelling |license = GPL 2.0 |website =
JOELib is computer software, a chemical expert system used mainly to interconvert chemical file formats. Because of its strong relationship to informatics, this program belongs more to the category cheminformatics than to molecular modelling. It is available for Windows, Unix and other operating systems supporting the programming language Java. It is free and open-source software distributed under the GNU General Public License (GPL) 2.0.
History
JOELib and OpenBabel were derived from the OELib Cheminformatics library.
Logo
The project logo is just the word JOELib in the Tengwar script of J. R. R. Tolkien. The letters are grouped as JO-E-Li-b. Vowels are usually grouped together with a consonant, but two following vowels must be separated by a helper construct.
Major features
- Chemical expert system
- Query and substructure search (based on Simplified molecular-input line-entry system (SMARTS), a SMILES extension
- Clique detection
- QSAR
- Data mining
- Molecule mining, special case of Structured Data Mining
- Feature–descriptor calculation
- Partition coefficient, log P
- Rule-of-five
- Partial charges
- Fingerprint calculation
- etc.
- Chemical file formats
- Chemical table file: MDL Molfile, SD format
- SMILES
- Gaussian
- Chemical Markup Language
- MOPAC
References
- The Blue Obelisk-Interoperability in Chemical Informatics, Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry Rzepa, Christoph Steinbeck, Jörg K. Wegner, and Egon L. Willighagen, J. Chem. Inf. Model.; 2006;
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