Changes between Version 50 and Version 51 of WikiStart


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Timestamp:
02/07/20 14:11:21 (2 weeks ago)
Author:
mrathman
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  • WikiStart

    v50 v51  
    22 
    33= Welcome to !ToxPrint = 
    4 [http://toxprint.org ToxPrint] is a publicly-available invariant reference set of structural features targeted to cover chemical structures from the large toxicity databases and regulatory inventories (Yang, 2015). !ToxPrint chemotypes were developed by Altamira LLC (now part of [https://www.mn-am.org/ MN-AM]) for US FDA CFSAN’s CERES (Chemical Evaluation and Risk Estimation System) project. Chemotypes including the !ToxPrint are implemented in the !ChemoTyper, which was contracted from US FDA to Molecular Networks GmbH (now part of [https://www.mn-am.org/ MN-AM]) 
     4[http://toxprint.org ToxPrint] is a publicly-available invariant reference set of structural features targeted to cover chemical structures from the large toxicity databases and regulatory inventories (Yang, 2015). !ToxPrint chemotypes were developed by Altamira LLC (now part of [https://www.mn-am.com/ MN-AM]) for US FDA CFSAN’s CERES (Chemical Evaluation and Risk Estimation System) project. Chemotypes including the !ToxPrint are implemented in the !ChemoTyper, which was contracted from US FDA to Molecular Networks GmbH (now part of [https://www.mn-am.com/ MN-AM]) 
    55 
    66== Chemotypes == 
     
    3232=== Category Classifiers === 
    3333When characterizing different databases, TTC datasets, or inventories to differentiate their chemical spaces, an invariant reference set of structural features are required. In addition, when developing categories for regulatory inventories (cosmetics, drugs, agrochemicals, etc.) or representing particular toxicity or biological patterns within AOP/MOA pathways or ontology networks, designed chemotypes specifically to capture the underlying knowledge can be a powerful set of tools.  To this end, we are developing !ChemoType Editor to empower the users with the ability to fluently manipulate the CSRML query definitions graphically in a molecular editor. Please contact MN-AM if you are interested. 
    34 * Structural categories defined in non-cancer TTC apporach 
    35 * [http://www8.nationalacademies.org/onpinews/newsitem.aspx?RecordID=25412) Organic Flame Retardant Chemotypes] 
     34* TTC approach 
     35* [http://www8.nationalacademies.org/onpinews/newsitem.aspx?RecordID=25412 Organic Flame Retardant Chemotypes] 
    3636* Antimicrobial Chemotypes (Yang 2020) 
    3737 

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