JOELib

<h2 id="history">History</h2>
<p>JOELib and <a href="/facts/OpenBabel/nmXftGXx">OpenBabel</a> were derived from the <a href="/facts/OELib/z6CtxcxY">OELib</a> <a href="/facts/Cheminformatics/BwBkT11c">Cheminformatics</a> library.
</p>
<h2 id="logo">Logo</h2>
<p>The project <a href="/facts/Logo/nUlH9REj">logo</a> is just the word JOELib in the <a href="/facts/Tengwar/cYR4N79C">Tengwar</a> script of <a href="/facts/J._R._R._Tolkien/41HPhk5C">J. R. R. Tolkien</a>. The letters are grouped as JO-E-Li-b. <a href="/facts/Vowel/BNhCeFtH">Vowels</a> are usually grouped together with a <a href="/facts/Consonant/81X2SGS6">consonant</a>, but two following vowels must be separated by a helper construct.
</p>
<h2 id="major-features">Major features</h2>
<ul><li>Chemical expert system</li>
<li>Query and <a href="/facts/Substructure_search/86LLWRg4">substructure search</a> (based on <a href="/facts/Simplified_molecular-input_line-entry_system/NUzV73WA">Simplified molecular-input line-entry system</a> (SMARTS), a SMILES extension</li>
<li><a href="/facts/Clique_(graph_theory)/XK9ppLz5">Clique</a> detection</li>
<li><a href="/facts/QSAR/6RDyCQDD">QSAR</a>
<ul><li><a href="/facts/Data_mining/AH53q5ac">Data mining</a></li>
<li><a href="/facts/Molecule_mining/4rtTgF8d">Molecule mining</a>, special case of <a href="/facts/Structured_Data_Mining/wTYpHwGA">Structured Data Mining</a></li></ul></li>
<li>Feature–descriptor calculation
<ul><li><a href="/facts/Partition_coefficient/D4aTlBal">Partition coefficient</a>, log <i>P</i></li>
<li>Rule-of-five</li>
<li>Partial charges</li>
<li>Fingerprint calculation</li>
<li>etc.</li></ul></li>
<li><a href="/facts/Chemical_file_format/3G2T4rSk">Chemical file formats</a>
<ul><li><a href="/facts/Chemical_table_file/WG8N7EhF">Chemical table file</a>: MDL Molfile, SD format</li>
<li><a href="/facts/Simplified_molecular_input_line_entry_specification/NUzV73WA">SMILES</a></li>
<li><a href="/facts/Gaussian_(software)/QGQaJ7ug">Gaussian</a></li>
<li><a href="/facts/Chemical_Markup_Language/40QHM0HD">Chemical Markup Language</a></li>
<li><a href="/facts/MOPAC/GvF6XkLB">MOPAC</a></li></ul></li></ul>
<h2 id="see-also">See also</h2>
<ul><li><a href="/facts/OpenBabel/nmXftGXx">OpenBabel</a> - C++ version of JOELib-<a href="/facts/OELib/z6CtxcxY">OELib</a></li>
<li><a href="/facts/Jmol/Ek2m784k">Jmol</a></li>
<li><a href="/facts/Chemistry_Development_Kit/9hoeQIBp">Chemistry Development Kit</a> (CDK)</li>
<li><a href="/facts/Comparison_of_software_for_molecular_mechanics_modeling/RabeF7vR">Comparison of software for molecular mechanics modeling</a></li>
<li><a href="/facts/Blue_Obelisk/jFsNzu6v">Blue Obelisk</a></li>
<li><a href="/facts/Molecule_editor/0qIez2t8">Molecule editor</a></li>
<li><a href="/facts/List_of_free_and_open-source_software_packages/l3x4PXwn">List of free and open-source software packages</a></li></ul>

<ul><li><i>The Blue Obelisk-Interoperability in Chemical Informatics</i>, Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry Rzepa, Christoph Steinbeck, Jörg K. Wegner, and Egon L. Willighagen, <i>J. Chem. Inf. Model.</i>; 2006; <a href="/facts/Doi_(identifier)/muM9Etpq">doi</a>:<a href="https://doi.org/10.1021%2Fci050400b">10.1021/ci050400b</a></li></ul>
<h2 id="external-links">External links</h2>
<ul><li><a href="http://sourceforge.net/projects/joelib">Official website</a> at <a href="/facts/SourceForge/lxYAgUAX">SourceForge</a></li>
<li><a href="https://web.archive.org/web/20070216104509/http://joelib.sourceforge.net/wiki/index.php/Algorithm_dictionary">Algorithm dictionary</a></li></ul>

JOELib open-in-new

JOELib