A comprehensive analytical tool that uses artificial intelligence algorithms to find existing response patterns and their costs
Synthesis cost
Functionality
Depending on the output at different stages
Cost analysis capability
For synthesis in the range of mg to kg scale
Calculating reagent costs
Up to 6 stages with possibility to specify intermediate products
Searching for synthesis pathways described in the literature
Product, reagent (optional), desired weight of synthesized substance and number of reaction steps. The result is the top 5 reaction schemes, ordered by increasing cost
You need to enter the parameters of the desired synthesis
Data export in various formats (Excel, PDF, CSV)
Searching the database for exclusively known reactions
Searching the database for exclusively known reactions
Links to suppliers
Benefits
Experimental protocols with synthesis conditions
Ability to edit the cost table with instant recalculation (if the reagent is already in stock, or there is a possibility of purchase at a different price)
Stage-by-stage analysis of each scheme
In the absence of vendor data, the system uses artificial intelligence algorithms to estimate approximate cost
When you enter your individual data, the total synthesis cost is recalculated
The interactive functions of the module allow you to edit all the data in the table and download the results
Top 5 most cost-effective synthesis schemes, preliminary synthesis cost calculation and links to vendors where you can buy the necessary reagents
We're getting
Example of using the module to find synthesis pathways and costs for gefitinib
- we can set the source connection
- gram quantity (100 g)
- number of synthesis steps (from 2 to 6)
- product, the desired compound to be synthesized (e.g. gefitinib)
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