applications
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applications [2013/10/09 22:11] – rkiss | applications [2014/01/01 15:26] – flack | ||
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====== LEAD OPTIMIZATION ====== | ====== LEAD OPTIMIZATION ====== | ||
- | {{: | + | {{: |
- | Continuously | + | Mcule offers a continuously |
===== 1-CLICK DOCKING ===== | ===== 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. | 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 ===== | ===== 1-CLICK SCAFFOLD HOP ===== | ||
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**[[toxicitychecker|Learn more >> | **[[toxicitychecker|Learn more >> | ||
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+ | ===== IDEA VALIDATOR ===== | ||
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 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 >> | **[[Ideaval|Learn more >> | ||
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applications.txt · Last modified: 2024/04/09 08:35 by rkiss