indexpages
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indexpages [2012/10/11 21:51] – created rkiss | indexpages [2012/10/14 21:18] – rkiss | ||
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+ | {{: | ||
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+ | Each entry in the mcule database has an index page. Index pages can be displayed by clicking on any mcule ID or 2D representation of a molecule. Each entry' | ||
- | Each entry in the mcule database (link) has an index page. Index pages can be displayed by clicking on any mcule ID or 2D representation of a molecule. Each entry' | ||
The index page is structured as follows: molecule representation (left-hand side), IDs (right-hand side), additional information (bottom). | The index page is structured as follows: molecule representation (left-hand side), IDs (right-hand side), additional information (bottom). | ||
- | On the left-hand side, the 2D representation of the molecule is displayed by default. In the case of conformers, rotatable, 3D representation can be displayed by clicking on the “View in 3D” button on the upper right side of the molecule representation window. | ||
- | On the right-hand side, important molecule identifiers such as the mcule ID (or product ID), InChI, SMILES, Formula, and InChIKey are displayed. Under the mcule ID, you can find the entry level of the molecule. Please remember, that the entry level is also reflected in the mcule ID. The entry level can be changed between compounds, structures and conformers. For this, please click on the link on the right, e.g. “Show structure”. Under the identifiers, | ||
- | The bottom part contains important information about the entry. | ||
- | For multicomponent entries, you can find the individual components listed under the “Components” tab. If the type of the component (e.g. main component, counter ion, solvent) could be identified, it is also displayed under the individual components' | + | ===== Left-hand side ===== |
- | Under the “Structural data” tab, the molecule can be downloaded in SDF, SMILES and InChI formats. | + | |
- | Under the “Product availability” tab, information about the commercial or other availability of the entry can be found. All available products are listed together with the following information: | + | The **2D representation** of the molecule is displayed by default. In the case of conformers, rotatable, **3D representation** can be displayed by clicking on the “View in 3D” button on the upper right side of the molecule representation window. |
- | “Supplier”: | + | |
- | “Catalog”: | + | ===== Right-hand side ===== |
- | “Supplier ID”: ID used by the chemical supplier to identify the product | + | |
- | “Purity”: | + | Important **molecule identifiers** such as the mcule ID (or product ID), [[http:// |
- | “Availability”: | + | |
- | “Updated”: | + | Under the mcule ID, you can find the **entry level** of the molecule. Please remember, that the entry level is also reflected in the mcule ID. The entry level can be changed between // |
+ | |||
+ | Under the identifiers, | ||
+ | |||
+ | ===== Bottom part ===== | ||
+ | |||
+ | === Components === | ||
+ | |||
+ | For multicomponent entries, you can find the individual components listed under the **“Components”** tab. If the type of the component (e.g. main component, counter ion, solvent) could be identified, it is also displayed under the individual components' | ||
+ | |||
+ | === Structure data === | ||
+ | |||
+ | Under the **“Structural data”** tab, the molecule can be downloaded in [[http:// | ||
+ | |||
+ | === Product availability === | ||
+ | |||
+ | Under the “Product availability” tab, information about the commercial or other availability of the entry can be found. All available products are listed together with the following information: | ||
+ | |||
+ | **"mcule product ID"**: unique mcule product identifier | ||
+ | |||
+ | **“Supplier”**: name of the chemical supplier selling the product | ||
+ | |||
+ | **“Catalog”**: name of the chemical supplier' | ||
+ | |||
+ | **“Supplier ID”**: ID used by the chemical supplier to identify the product | ||
+ | |||
+ | **“Purity”**: minimum guaranteed purity of the product | ||
+ | |||
+ | **“Availability”**: on stock amount (immediately available for purchase) of the product | ||
+ | |||
+ | **“Updated”**: product availability information last updated | ||
In most of the cases, the “Availability” field is updated on-the-fly as the “Product availability” tab is opened on the index page. | In most of the cases, the “Availability” field is updated on-the-fly as the “Product availability” tab is opened on the index page. | ||
+ | |||
Under the “Properties” tab you can find the most important properties (physicochemical, | Under the “Properties” tab you can find the most important properties (physicochemical, |
indexpages.txt · Last modified: 2013/02/07 09:36 by sanmark