![]() ![]() getElementById ( '2d' )Ĭonst xmlns = svg. getElementById ( '3d' )Ĭonst svg = document. Such embedded markup is difficult for parsers to deal with when only a plain string is desired.Const canvas = document. PubChem is making a major effort to remove all embedded HTML from within the various strings in the data blobs. Right now I tried hard to do the following task: for a given Mol: -do a similarity search by PUG (thats pretty well described by SimilaritySearch.py) -retrieve the list of CIDs of similar Mols (I think I got the Idea from Gregs script) -look If there are assays providing bioactivity data for any of these CIDs (I know, that I can query this. The function getIds accepts one or more numeric PubChem compound ids and downloads the corresponding compounds from PubChem Power User Gateway (PUG) returning results in an SDFset container. This database collects chemical information from hundreds. No more embedded tables in the data blobs. The help documents of the package provide much more detailed information on each utility. PubChem ( is a public chemical database that serves scientific communities as well as the general public.All values are lists, having separate fields for individual values.No more HTML markup within strings instead, we will have an explicit markup object that separates primary strings from the various markup types.The following major changes are being made to the data model of the PUG View JSON/XML blobs: #Pubchem pug documentation updateProgrammatic users, however, will need to update the programs that retrieve and interpret data from PUG View. PubChem web users will not be directly affected by the data model changes. These objects are used by both programmatic users and by PubChem web pages. PubChem is updating the data model for objects returned by the PUG View server. What’s working well? What’s not? What’s missing? Send an email to tuned to this blog for future announcements about the roll-out of all the new designs and features coming to PubChem! Posted in What's New Updates to the PubChem Data Model PubChem’s new look and feel is a big step forward for PubChem, and we’re excited to share all of the improvements we’re making across PubChem with you! You can find more information about browsers and browser support here: ![]() Please note that, due to the number of upgrades we’re making to PubChem’s pages, legacy browsers will no longer be supported. In addition, the graphics quality of the compound 3D Conformer interactive model has been significantly improved. We’re also adding thumbnails for all the available structure types of a given compound (for example, 2D, 3D, crystal) to the summary area. Redundant navigational icons are being removed.Īnother result of your feedback is that we’re emphasizing chemical safety information in the summary area at the top of the record. It now appears on the right side of the page, and higher up on the page. For example, the table of contents has been moved and improved. PUG REST Specification: A more comprehensive but dense specification that details every possible way to use the web service. PUG REST Tutorial: Explains how the web service works with a variety of usage examples. We’ve also looked over volumes of usage data and user feedback to improve page layout and navigation, and many of the changes you’ll see are a direct response to your feedback. But if you want to go beyond the capabilities of PubChemPy, there is some helpful documentation on the PubChem website. ![]()
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