purchasable
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purchasable [2013/01/29 12:06] – sanmark | purchasable [2016/01/21 22:52] – flack | ||
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====== Purchasable compounds collection ====== | ====== Purchasable compounds collection ====== | ||
- | The Purchasable compounds collection is currently the main part of the mcule database. It is managed by mcule.com | + | |
+ | {{: | ||
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+ | The Purchasable compounds collection is currently the main part of the Mcule database. It is managed by Mcule using our rigorous | ||
The content of the purchasable compounds collection is updated daily with the products that are commercially available currently from mcule.com’s compounds suppliers. [[structurelevels|Identifiers of the compounds]] are assigned considering tautomerism and protonation states, different form of the products are mapped to a single compound in the collection. | The content of the purchasable compounds collection is updated daily with the products that are commercially available currently from mcule.com’s compounds suppliers. [[structurelevels|Identifiers of the compounds]] are assigned considering tautomerism and protonation states, different form of the products are mapped to a single compound in the collection. | ||
- | __Main | + | **Main |
===== Standardization and chemical correctness ===== | ===== Standardization and chemical correctness ===== | ||
- | During [[regsys|compound registration]] different forms of chemical issues are addressed. Compounds with incorrect structure or ambiguous representation | + | During [[regsys|compound registration]] different forms of chemical issues are addressed. Compounds with incorrect structure or ambiguous representation |
Before registering product catalogs, the stereochemical representation of the supplier is determined and compounds are registered accordingly. Unreliable stereo data are removed to prevent misunderstandings and further issues. The [[stereonotations|stereochemical drawing convention]] applied by mcule.com is capable to represent fully described stereo configurations and fully or partially known / uncertain ones as well. | Before registering product catalogs, the stereochemical representation of the supplier is determined and compounds are registered accordingly. Unreliable stereo data are removed to prevent misunderstandings and further issues. The [[stereonotations|stereochemical drawing convention]] applied by mcule.com is capable to represent fully described stereo configurations and fully or partially known / uncertain ones as well. | ||
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Compound suppliers have their own compound database and online interface. At mcule.com not only are the structures collected and standardized but product data is also synchronized. When it is possible, we access and collect the in-stock available amount of the products and display it to you. | Compound suppliers have their own compound database and online interface. At mcule.com not only are the structures collected and standardized but product data is also synchronized. When it is possible, we access and collect the in-stock available amount of the products and display it to you. | ||
- | Currently up-to-date amount data is provided for 5.2M+ products represented in the purchasable compound collection. Mcule.com’s web page that provides more detailed information about the current synchronization state of current suppliers is under development. In the meantime, we list here those compound suppliers provide up-to-date availabiliy information. | + | Currently up-to-date amount data is provided for 6.6M+ products represented in the purchasable compound collection. Mcule.com’s web page that provides more detailed information about the current synchronization state of current suppliers is under development. In the meantime, we list here those compound suppliers provide up-to-date availabiliy information. |
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- | Currently, for more than 3.6M products the available amount is synchronized with suppliers’ online shops. Catalogs synchronized via online shops are: | + | Currently, for more than 4.3M products the available amount is synchronized with suppliers’ online shops. Catalogs synchronized via online shops are: |
^Supplier | ^Supplier | ||
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|ChemBridge | |ChemBridge | ||
|ChemBridge | |ChemBridge | ||
+ | |Key Organics|Screening Compound Library | | ||
Product data for these catalogs is synchronized on the fly when you are browsing mcule.com’s [[indexpages|compound index pages]]: | Product data for these catalogs is synchronized on the fly when you are browsing mcule.com’s [[indexpages|compound index pages]]: | ||
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^Supplier | ^Supplier | ||
+ | |Life Chemicals | ||
+ | |Life Chemicals | ||
|Vitas-M Laboratory | |Vitas-M Laboratory | ||
|Vitas-M Laboratory | |Vitas-M Laboratory | ||
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|InterBioScreen | |InterBioScreen | ||
- | 1.5M+ products fall into this category, with updated amounts, that are either accessed on the fly (Chemical Block) or nightly (Vitas-M Laboratories, | + | 2.3M+ products fall into this category, with updated amounts, that are either accessed on the fly (Chemical Block) or nightly (Vitas-M Laboratories, |
===== Where can you access product data ===== | ===== Where can you access product data ===== | ||
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===== Access the purchasable compound collection ===== | ===== Access the purchasable compound collection ===== | ||
- | Purchasable compound collection can be downloaded on [[dashboard|mcule.com’s dashboard]] after logging in, and can be screened on mcule.com’s [[screen|virtual screening interface]]. Alternatively, | ||
- | If you would like to access all the product information collected from the compound suppliers in batch mode, or download the purchasable compounds with these data attached, | + | Purchasable compound collection can be downloaded from **[[https:// |
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+ | {{: | ||
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+ | If you would like to access all the product information collected from the compound suppliers in batch mode, or download the purchasable compounds with these data attached, you can choose one of our [[https:// |
purchasable.txt · Last modified: 2016/03/18 11:12 by flack