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start [2014/01/01 16:38] flack [HIT IDENTIFICATION] |
start [2018/10/03 18:19] (current) flack [MCULE, the online drug discovery platform] |
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| //**DO EARLY PHASE DRUG DISCOVERY LIGHTNING FAST**// | //**DO EARLY PHASE DRUG DISCOVERY LIGHTNING FAST**// | ||
| - | {{:works.png?200 }} | + | {{:how-it-works_1000.png?200 }} |
| **[[https://mcule.com/|Mcule]]** is an integrated [[http://en.wikipedia.org/wiki/Drug_discovery|drug discovery]] platform providing IT infrastructure, drug discovery tools, high quality compound database and professional compound delivery. These components are integrated together and can be accessed via a clean and simple web interface. | **[[https://mcule.com/|Mcule]]** is an integrated [[http://en.wikipedia.org/wiki/Drug_discovery|drug discovery]] platform providing IT infrastructure, drug discovery tools, high quality compound database and professional compound delivery. These components are integrated together and can be accessed via a clean and simple web interface. | ||
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| ====== LEAD OPTIMIZATION ====== | ====== LEAD OPTIMIZATION ====== | ||
| + | {{ :icon_big.png?75}} | ||
| Mcule offers a continuously growing set of intuitive, easy-to-use modeling applications specifically designed to evaluate and generate ideas in the hit/lead optimization process. In the course of a drug discovery project, after identifying a hit or lead molecule, the next step is the optimization of multiple properties of the hit/lead. Some of the properties that typically need further optimization are binding affinity to the target, selectivity (affinity to off-targets) and [[http://en.wikipedia.org/wiki/ADME|ADMET]] properties. | Mcule offers a continuously growing set of intuitive, easy-to-use modeling applications specifically designed to evaluate and generate ideas in the hit/lead optimization process. In the course of a drug discovery project, after identifying a hit or lead molecule, the next step is the optimization of multiple properties of the hit/lead. Some of the properties that typically need further optimization are binding affinity to the target, selectivity (affinity to off-targets) and [[http://en.wikipedia.org/wiki/ADME|ADMET]] properties. | ||
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| ====== COMPOUND SOURCING ====== | ====== COMPOUND SOURCING ====== | ||
| - | {{:del.png|}} | + | {{ :del.png?65}} |
| - | See our brochure on **[[https://mcule.s3.amazonaws.com/Mcule_Compound_Sourcing_Oct2013.pdf|MCULE COMPOUND SOURCING]]** | + | See our brochure on **[[https://mcule.s3.amazonaws.com/Mcule_Compound_Sourcing.pdf|MCULE COMPOUND SOURCING]]** |
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| + | **[[http://mcule.s3.amazonaws.com/Mcule_Compound_Sourcing_User_Guide.pdf|Download our Compound Sourcing User Guide]]** | ||
| High quality database, advanced compound selection, automated price optimization and professional delivery service. | High quality database, advanced compound selection, automated price optimization and professional delivery service. | ||
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| ====== MCULE DATABASE ====== | ====== MCULE DATABASE ====== | ||
| - | __**[[http://mcule.com/database|DOWNLOAD DATABASE]]**__: The Mcule database can be downloaded in SDF format including Mcule IDs and 2D structures from **[[http://mcule.com/database/|HERE]]**. It can be processed in-house and you can come back with the Mcule IDs of the best hits to place an order **[[http://mcule.com/collection/create/from-ids/|HERE]]**. | + | **[[http://mcule.com/database|DOWNLOAD DATABASE]]**: The Mcule database can be downloaded in SDF format including Mcule IDs and 2D structures from **[[http://mcule.com/database/|HERE]]**. It can be processed in-house and you can come back with the Mcule IDs of the best hits to place an order **[[http://mcule.com/collection/create/from-ids/|HERE]]**. |
| The Mcule database contains high quality molecule collections. All of them passed our in-house developed registration system: **[[regsys|MAC (Mcule Advanced Curation)]]**. | The Mcule database contains high quality molecule collections. All of them passed our in-house developed registration system: **[[regsys|MAC (Mcule Advanced Curation)]]**. | ||
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| After registration, all mcule users get immediate access to the [[freepackage|Free package]], which contains a reasonable set of drug discovery tools: simple tools (e.g. [[similaritysearch|Similarity search]]) are provided without limitations, while more complex features (e.g. [[dockingvina|Docking (Vina)]]) can be accessed with some limitations. Users can [[subscriptionpackages|subscribe to packages]] that change or eliminate these limits or give access to special tools and collections not available in the [[freepackage|Free package]]. | After registration, all mcule users get immediate access to the [[freepackage|Free package]], which contains a reasonable set of drug discovery tools: simple tools (e.g. [[similaritysearch|Similarity search]]) are provided without limitations, while more complex features (e.g. [[dockingvina|Docking (Vina)]]) can be accessed with some limitations. Users can [[subscriptionpackages|subscribe to packages]] that change or eliminate these limits or give access to special tools and collections not available in the [[freepackage|Free package]]. | ||
| - | **[[Freepackage|Free package]]** | + | **[[Freepackage|Free package »]]** |
| - | **[[Subscriptionpackages|Subscription packages]]** | + | **[[Subscriptionpackages|Subscription packages »]]** |
| ====== LIMITS ====== | ====== LIMITS ====== | ||
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| Mcule users can exploit the practically unlimited computational capacity of cloud technology. Instead of limiting by CPU or other computational resources used, we apply the following limits: | Mcule users can exploit the practically unlimited computational capacity of cloud technology. Instead of limiting by CPU or other computational resources used, we apply the following limits: | ||
| - | **[[globallimits|Global limits]]** | + | **[[globallimits|Global limits »]]** |
| - | **[[inputlimits|Input molecule limits]]** | + | **[[inputlimits|Input molecule limits »]]** |
| - | **[[querylimits|Query molecule limits]]** | + | **[[querylimits|Query molecule limits »]]** |
| Your usage limits including the number of remaining molecules can be tracked under “User profile / limits”. To check your user profile click on your user name in the upper right corner on the [[https://mcule.com/|mcule.com]] website. | Your usage limits including the number of remaining molecules can be tracked under “User profile / limits”. To check your user profile click on your user name in the upper right corner on the [[https://mcule.com/|mcule.com]] website. | ||
start.1388590716.txt.gz · Last modified: 2014/01/01 16:38 by flack
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