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mculedb [2013/10/11 15:00] rkiss |
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====== MCULE DATABASE ====== | ====== MCULE DATABASE ====== | ||
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__**[[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]]**. | ||
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The major part of the database consists of commercially available compounds (**[[purchasable|Purchasable compounds]]**), that can serve as an input collection for [[http://en.wikipedia.org/wiki/Virtual_screening|virtual screening]]. Users can also **[[userupload|upload]]** their own molecule collections. | The major part of the database consists of commercially available compounds (**[[purchasable|Purchasable compounds]]**), that can serve as an input collection for [[http://en.wikipedia.org/wiki/Virtual_screening|virtual screening]]. Users can also **[[userupload|upload]]** their own molecule collections. | ||
- | More info on Mcule database: | + | __**More info on Mcule database:**__ |
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+ | **[[Purchasable|Purchasable compounds collection »]]** | ||
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+ | **[[Subsets|Diversity, Ro5 and Ro3 subsets »]]** | ||
- | **[[Regsys|MAC (Mcule Advanced Curation)]]** | + | **[[Indexpages|Molecule index pages »]]** |
- | **[[Purchasable|Purchasable compounds collection]]** | + | **[[Collmanagement|Collection management »]]** |
- | **[[NCI|NCI collection (coming soon!)]]** | + | **[[userupload|User uploaded collections »]]** |
- | **[[ChEMBL|ChEMBL collection (coming soon!)]]** | + | **[[Regsys|MAC (Mcule Advanced Curation) »]]** |
- | **[[userupload|User collections]]** | + | **[[structurelevels|Mcule structure specification levels »]]** |
- | **[[Collmanagement|Collection management]]** | + | **[[stereonotations|Mcule stereo notations »]]** |
- | **[[Indexpages|Molecule index pages]]** | + | **[[NCI|NCI collection (coming soon!) »]]** |
- | **[[structurelevels|Mcule structure specification levels]]** | + | **[[ChEMBL|ChEMBL collection (coming soon!) »]]** |
- | **[[stereonotations|Mcule stereo notations]]** |