James H. Zothantluanga
"Thiazolinepred tool: A new online tool for the IC50 prediction of thiazole derivatives against Plasmodium falciparum"
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ThiazolinePred is free. Click the link to access ThiazolinePred
However, all users must cite the following:
1) Zothantluanga JH, Chetia D, Umar AK, Sanchaita R (2023) A novel web tool 'ThiazolinePred' for the IC50 prediction of thiazole derivatives against Plasmodium falciparum developed using a 2D-QSAR approach. Under communication
2) ThiazolinePred: A 2D-QSAR based online calculator for the IC50 prediction of thiazole derivatives against Plasmodium falciparum. Available from: https://etflin.com/news/34
Main idea behind ThiazolinePred
To reduce time, money, and unnecessary animal sacrifice during lead identification process, we have developed a web tool that will help researchers to quickly predict the IC50 of their compounds without the need for an expensive laboratory setup and laborious bioassay.
How does it work?
1) Calculate the molecular descriptors (MDs) using PaDEL-descriptor software
2) Normalize the values of the MDs
3) Enter the MDs value into their respective boxes all at once
4) Click calculate
Caution
Do not round off any numbers. If a MD value is 0.4675387642, keep the value as it is. Do not round off to 0.47, otherwise, there will be errors in the results as the calculator is decimal sensitive.
Contact
If you have any problem at any stage, or wants to check the Applicability Domain for your test compound, you may send an email at the following address: jameshztta@gmail.com.