Home innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management http://chemdbsoft.com/feed/atom.html 2024-05-04T12:38:02+00:00 Joomla! - Open Source Content Management Software Features and Versions 2012-10-25T21:09:31+00:00 2012-10-25T21:09:31+00:00 http://chemdbsoft.com/software-features-and-versions.html Super User slava@timtec.com <div class="feed-description"><p><strong><span style="color: #383334;">New forchemical vendors:</span></strong> <strong><span style="color: #383334;"><a href="chemical-structure-searchable-cdrom-catalogs.html" target="_blank" title="Chemical Structure-Searchable CDROM Catalogs">Chemical Structure-Searchable CDROM Catalogs</a></span></strong></p> <table style="width: 100%;" border="1" cellpadding="4"> <tbody> <tr> <td width="55%"><img src="images/bc_new.gif" border="0" width="28" height="28" align="left" /><span style="color: #383334; font-size: small;"><strong>Software Features and Versions</strong></span></td> <td style="height: 36px;" align="center" width="15%"><strong>ChemDBsoft Lite Demo</strong></td> <td align="center" width="15%"><strong>ChemDBsoft Lite</strong></td> <td align="center" width="15%"><strong>ChemDBsoft Standard</strong></td> </tr> <tr> <td width="55%"> </td> <td align="center" width="15%"><a href="demo/ChemDBsoft-demo.zip" target="_blank" title="ChemDBsoft Lite Demo">Download</a></td> <td align="center" valign="middle" width="15%"><a href="get-chemdbsoft-soft-lite.html" target="_blank" title="ChemDBsoft soft Lite">Buy it now</a></td> <td align="center" valign="middle" width="15%">{aicontactsafelink text=Order Now|pf=1|aics_subject=ChemDBsoft Standard}</td> </tr> <tr> <td width="55%"><strong>Drawing of structures:</strong></td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Search by structure, substructure and similarity:</strong></td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Atoms available for structure drawing:</strong></td> <td align="center" width="15%">C, N, O, P, S, Cl, Br, F, Si, D</td> <td align="center" width="15%">All atoms from periodic table.</td> <td align="center" width="15%">All atoms from periodic table:</td> </tr> <tr> <td width="55%"><strong>Batch SDF import/export:</strong></td> <td align="center" width="15%">Limited to 10</td> <td align="center" width="15%">Unlimited</td> <td align="center" width="15%">Unlimited</td> </tr> <tr> <td width="55%"><strong>Database size:</strong></td> <td align="center" width="15%">Limited to 50,000</td> <td align="center" width="15%">Limited to 50,000</td> <td align="center" width="15%">10,000,000</td> </tr> <tr> <td width="55%"><strong>Number of databases:</strong></td> <td align="center" width="15%">Unlimited</td> <td align="center" width="15%">Unlimited</td> <td align="center" width="15%">Unlimited</td> </tr> <tr> <td width="55%"><a href="template-structures.html" target="_blank" title="Structure templates"><strong>Structure templates:</strong></a></td> <td align="center" width="15%">10</td> <td align="center" width="15%">70</td> <td align="center" width="15%">70</td> </tr> <tr> <td width="55%"><a href="routines-for-synthesis-planning.html" target="_blank" title="Synthesis planning"><strong>Synthesis planning:</strong></a></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Timer<span style="color: #ff0000;">(New feature!)</span>. </strong>Allows setting a data field on alert each time a DB is open. As an example, it is useful for entering expiration dates or order/project due dates.</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Technical support:</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Manual:</strong></td> <td align="center" width="15%">Download</td> <td align="center" width="15%">Download</td> <td align="center" width="15%">Paper</td> </tr> <tr> <td width="55%"><strong>Free database of available organic compounds, building Blocks and intermediates:</strong></td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> </tr> <tr> <td colspan="4" width="45%"><strong>Additional Modules (Purchased separately):</strong></td> </tr> <tr> <td width="55%"><a href="barcode-module.html" target="_blank" title="Barcode module"><strong>Barcode module:</strong></a></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Drug Like properties calculation:<br /> Lipinski, H- Donors, H-Acceptors, Rotation Bonds, N+O, Polar Surface Area (PSA)</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Diversity and Similarity Analysis and Sorting:</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Software for HTS and Combinatorial Chemistry:</strong></td> <td align="center" width="15%"> </td> <td align="center" width="15%"> </td> <td align="center" width="15%"> </td> </tr> <tr> <td width="55%"><strong>Structure Processing (SDF, MOL files browser, editor, converter, analyzer):</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Spectra Management (NMR, MASS, and IR spectra processing):</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Chemical Database Web Server Software:</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><a href="glossary-of-20000-chemicals.html" target="_blank" title="Chemical Glossary"><strong>Chemical Glossary</strong></a><strong>(20,000 chemicals with names and structures):</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> </tbody> </table> <p><br /> {loadposition feedback_1} <br /> {loadposition feedback_2}</p></div> <div class="feed-description"><p><strong><span style="color: #383334;">New forchemical vendors:</span></strong> <strong><span style="color: #383334;"><a href="chemical-structure-searchable-cdrom-catalogs.html" target="_blank" title="Chemical Structure-Searchable CDROM Catalogs">Chemical Structure-Searchable CDROM Catalogs</a></span></strong></p> <table style="width: 100%;" border="1" cellpadding="4"> <tbody> <tr> <td width="55%"><img src="images/bc_new.gif" border="0" width="28" height="28" align="left" /><span style="color: #383334; font-size: small;"><strong>Software Features and Versions</strong></span></td> <td style="height: 36px;" align="center" width="15%"><strong>ChemDBsoft Lite Demo</strong></td> <td align="center" width="15%"><strong>ChemDBsoft Lite</strong></td> <td align="center" width="15%"><strong>ChemDBsoft Standard</strong></td> </tr> <tr> <td width="55%"> </td> <td align="center" width="15%"><a href="demo/ChemDBsoft-demo.zip" target="_blank" title="ChemDBsoft Lite Demo">Download</a></td> <td align="center" valign="middle" width="15%"><a href="get-chemdbsoft-soft-lite.html" target="_blank" title="ChemDBsoft soft Lite">Buy it now</a></td> <td align="center" valign="middle" width="15%">{aicontactsafelink text=Order Now|pf=1|aics_subject=ChemDBsoft Standard}</td> </tr> <tr> <td width="55%"><strong>Drawing of structures:</strong></td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Search by structure, substructure and similarity:</strong></td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Atoms available for structure drawing:</strong></td> <td align="center" width="15%">C, N, O, P, S, Cl, Br, F, Si, D</td> <td align="center" width="15%">All atoms from periodic table.</td> <td align="center" width="15%">All atoms from periodic table:</td> </tr> <tr> <td width="55%"><strong>Batch SDF import/export:</strong></td> <td align="center" width="15%">Limited to 10</td> <td align="center" width="15%">Unlimited</td> <td align="center" width="15%">Unlimited</td> </tr> <tr> <td width="55%"><strong>Database size:</strong></td> <td align="center" width="15%">Limited to 50,000</td> <td align="center" width="15%">Limited to 50,000</td> <td align="center" width="15%">10,000,000</td> </tr> <tr> <td width="55%"><strong>Number of databases:</strong></td> <td align="center" width="15%">Unlimited</td> <td align="center" width="15%">Unlimited</td> <td align="center" width="15%">Unlimited</td> </tr> <tr> <td width="55%"><a href="template-structures.html" target="_blank" title="Structure templates"><strong>Structure templates:</strong></a></td> <td align="center" width="15%">10</td> <td align="center" width="15%">70</td> <td align="center" width="15%">70</td> </tr> <tr> <td width="55%"><a href="routines-for-synthesis-planning.html" target="_blank" title="Synthesis planning"><strong>Synthesis planning:</strong></a></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Timer<span style="color: #ff0000;">(New feature!)</span>. </strong>Allows setting a data field on alert each time a DB is open. As an example, it is useful for entering expiration dates or order/project due dates.</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Technical support:</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Manual:</strong></td> <td align="center" width="15%">Download</td> <td align="center" width="15%">Download</td> <td align="center" width="15%">Paper</td> </tr> <tr> <td width="55%"><strong>Free database of available organic compounds, building Blocks and intermediates:</strong></td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> <td align="center" width="15%">✔</td> </tr> <tr> <td colspan="4" width="45%"><strong>Additional Modules (Purchased separately):</strong></td> </tr> <tr> <td width="55%"><a href="barcode-module.html" target="_blank" title="Barcode module"><strong>Barcode module:</strong></a></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Drug Like properties calculation:<br /> Lipinski, H- Donors, H-Acceptors, Rotation Bonds, N+O, Polar Surface Area (PSA)</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Diversity and Similarity Analysis and Sorting:</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Software for HTS and Combinatorial Chemistry:</strong></td> <td align="center" width="15%"> </td> <td align="center" width="15%"> </td> <td align="center" width="15%"> </td> </tr> <tr> <td width="55%"><strong>Structure Processing (SDF, MOL files browser, editor, converter, analyzer):</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Spectra Management (NMR, MASS, and IR spectra processing):</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><strong>Chemical Database Web Server Software:</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> <tr> <td width="55%"><a href="glossary-of-20000-chemicals.html" target="_blank" title="Chemical Glossary"><strong>Chemical Glossary</strong></a><strong>(20,000 chemicals with names and structures):</strong></td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✘</td> <td align="center" width="15%">✔</td> </tr> </tbody> </table> <p><br /> {loadposition feedback_1} <br /> {loadposition feedback_2}</p></div>