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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
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2024-05-04T12:38:02+00:00
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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>