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start [2014/01/01 15:41] – [MCULE DATABASE] flackstart [2014/01/01 15:55] – [SUBSCRIPTIONS] flack
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 ====== LEAD OPTIMIZATION ====== ====== LEAD OPTIMIZATION ======
  
-{{ :icon_big.png?65}}+{{ :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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 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 ======
start.txt · Last modified: 2024/04/28 23:04 by flack