{"id":4615,"date":"2024-04-11T10:58:06","date_gmt":"2024-04-11T08:58:06","guid":{"rendered":"https:\/\/blog.molport.com\/?p=4615"},"modified":"2024-04-23T10:52:49","modified_gmt":"2024-04-23T08:52:49","slug":"2d-3d-databases-via-ftp","status":"publish","type":"post","link":"https:\/\/blog.molport.com\/database\/2d-3d-databases-via-ftp\/","title":{"rendered":"Unlock Comprehensive Analysis with 2D &#038; 3D Databases via FTP"},"content":{"rendered":"<h4>&gt; 5 million in-stock compounds<\/h4>\n<p>Whether you&#8217;re diving into computational chemistry or leading screening efforts, MolPort equips you with indispensable tools for:<\/p>\n<ul>\n<li>Diversity Analysis<\/li>\n<li>Clustering<\/li>\n<li>Virtual Screening and Docking<\/li>\n<li>Machine Learning<\/li>\n<\/ul>\n<p>Databases are provided as SD files or SMILES format for easy use with almost all computational chemistry software.<\/p>\n<h2>2D Compound Data<\/h2>\n<p>Delve into Molport&#8217;s curated and standardized commercially available compound 2D database. Pick the version that is most suitable to your needs, starting from basic to premium levels, offering varying degrees of granularity:<\/p>\n<h3>Basic 2D:<\/h3>\n<p>Access to:<\/p>\n<ul>\n<li>2D Structure files (SDfile\/SMILES)<\/li>\n<li>Molport ID<\/li>\n<li>Direct links to compound pages in our online database<\/li>\n<\/ul>\n<h3>Professional 2D<\/h3>\n<p>Access includes everything in Basic, plus:<\/p>\n<ul>\n<li>Stock amount<\/li>\n<li>Lead time<\/li>\n<li>Price range by pack size<\/li>\n<li>Dedicated folder on Natural compounds<\/li>\n<li>Dedicated folder on Building block functional groups<\/li>\n<\/ul>\n<p><strong><a href=\"https:\/\/www.molport.com\/shop\/user-ftp-access?utm_source=Molport&amp;utm_medium=Blog&amp;utm_campaign=FTP&amp;utm_content=2D%263D+blog\">Click to request access to Basic or Professional 2D database<\/a><\/strong><\/p>\n<p><strong><a href=\"https:\/\/www.molport.com\/blog\/database\/ftp-database-download\/\">More details about 2D Basic &amp; Professional database<\/a><\/strong><\/p>\n<h3>Premium 2D:<\/h3>\n<p>Access includes everything in Basic+ Professional plus:<\/p>\n<ul>\n<li>Supplier &amp; catalog ID<\/li>\n<li>QC<\/li>\n<li>Compound state<\/li>\n<li>Price per unit<\/li>\n<\/ul>\n<h2>3D Conformer data<\/h2>\n<p>They consist of conformational models of the drug-like molecules available from MolPort. \u00a0Each molecule is standardized for protonation state, and conformations are generated using RDkit&#8217;s functionality. The maximum size of the conformational model for any compound is dependent on its flexibility.<\/p>\n<p>Choose the database that suits\u00a0 your needs:<\/p>\n<h3>Standard 3D<\/h3>\n<ul>\n<li>Access includes<\/li>\n<li>3D Structure<\/li>\n<li>Molport ID<\/li>\n<li>Stock amount<\/li>\n<li>QC<\/li>\n<li>Compound state<\/li>\n<li>Price ranges<\/li>\n<\/ul>\n<h3>Premium 3D<\/h3>\n<p>You can elevate your analysis with additional insights such as unit pricing, empowering precise cost-benefit assessments, and strategic decision-making. Access includes everything in Standard 3D plus the Price per unit.<\/p>\n<h4><em><strong>Want to learn more and access the database?<\/strong><\/em><\/h4>\n<p>Unlock the power of comprehensive analysis with MolPort&#8217;s 2D and 3D databases, tailored to fuel your research endeavors and drive impactful discoveries.<\/p>\n<p><strong>Please contact us at info@molport.com or <a href=\"https:\/\/calendly.com\/kristine-skulme\/30minutes\">book a call.<\/a><\/strong><\/p>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>&gt; 5 million in-stock compounds Whether you&#8217;re diving into computational chemistry or leading screening efforts, MolPort equips you with indispensable tools for: Diversity Analysis Clustering Virtual Screening and Docking Machine Learning Databases are provided as SD files or SMILES format for easy use with almost all computational chemistry software. 2D Compound Data Delve into Molport&#8217;s<\/p>\n","protected":false},"author":6,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[69],"tags":[145,144,79,143,146],"acf":[],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/posts\/4615"}],"collection":[{"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/users\/6"}],"replies":[{"embeddable":true,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/comments?post=4615"}],"version-history":[{"count":10,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/posts\/4615\/revisions"}],"predecessor-version":[{"id":4626,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/posts\/4615\/revisions\/4626"}],"wp:attachment":[{"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/media?parent=4615"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/categories?post=4615"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/tags?post=4615"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}