Differences

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--- applications [2013/10/09 22:11] – rkiss
+++ applications [2014/01/01 15:27] – flack
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 ====== LEAD OPTIMIZATION ======
-{{:icon_big.png?70|}}
+{{:icon_big.png?65|}}
-Continuously growing set of simple, ready-to use modeling applications specifically designed to evaluate and generate ideas in the lead optimization process.
+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.
 ===== 1-CLICK DOCKING =====
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 Molecular docking simulations predict the binding orientation and affinity of a ligand to a target. 1-Click Docking is the easiest molecular docking solution online. It has been designed to quickly test and rank-order ideas of medicinal chemists. Ideas can be prioritized based on the docking scores (predicted binding affinity) and interactions can be visualized between the ligand and the target.
-**[[1clickdocking|Learn more >>]]**
+**[[1clickdocking|Learn more »]]**
 ===== 1-CLICK SCAFFOLD HOP =====
 Scaffold hopping is about finding novel active ligands structurally different from a reference ligand (Query). Scaffold hopping can be particularly useful during lead optimization, when certain parts of lead molecules need to be replaced to fix IP, toxicity, selectivity or pharmacokinetic issues. 1-Click Scaffold Hop utilizes the powerful FTrees Visual Similarities algorithm (link), which can identify structurally different scaffolds that are still active.
-**[[1clickscaffoldhop|Learn more >>]]**
+**[[1clickscaffoldhop|Learn more »]]**
 ===== PROPERTY CALCULATOR =====
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 **[[toxicitychecker|Learn more >>]]**
-Idea validator offers a fully customizable solution to validate and prioritize synthetic ideas. Business rules can be easily implemented. Feature set that can be integrated includes: activity prediction, target profiling, physicochemical property alerts, toxic alerts, commercial availability check
+===== IDEA VALIDATOR =====
-**[[Ideaval|Learn more >>]]**
+Idea validator offers a fully customizable solution to validate and prioritize synthetic ideas. Business rules can be easily implemented. Feature set that can be integrated includes: activity prediction, target profiling, physicochemical property alerts, toxic alerts, commercial availability check
+**[[Ideaval|Learn more »]]**