Comparative Analysis of in Silico Tools for Drug Side Effect Prediction

In silico tools are being developed and used these days to make predictions in the field of medicine. They are being used in scientific research where they are helping to ease out the process of developing new techniques and products. Cancer research is also being benefitted from these tools. There are special algorithms developed which form basis of these in silico tools. Molecular Docking is one such tool that can be based on principles like Artificial Intelligence, Machine Learning etc. It is used to understand interactions between drugs and how do they impact the body, what makes the difference in the biologic system and how do these compounds actually cause side effects. Here is a review of Molecular Docking tools which can predict the interactions between two compounds on basis of their biding energy and other parameters. These tools will be analyzed on basis of predictions they make and on basis of this analysis, best tool will be used chosen for making adverse reaction analysis of Dabrafenib, which is an anti-cancer drug administered to melanoma patients.

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Published
2025-02-13
DOI
https://doi.org/10.1109/ic363308.2025.10956741
Primary Topic
Analytical Methods in Pharmaceuticals
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article
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article

Comparative Analysis of in Silico Tools for Drug Side Effect Prediction

Asmita Das, Harish V. Thakur
Analytical Methods in Pharmaceuticals
article

Comparative Analysis of in Silico Tools for Drug Side Effect Prediction

Asmita Das, Harish V. Thakur
article en

Abstract

In silico tools are being developed and used these days to make predictions in the field of medicine. They are being used in scientific research where they are helping to ease out the process of developing new techniques and products. Cancer research is also being benefitted from these tools. There are special algorithms developed which form basis of these in silico tools. Molecular Docking is one such tool that can be based on principles like Artificial Intelligence, Machine Learning etc. It is used to understand interactions between drugs and how do they impact the body, what makes the difference in the biologic system and how do these compounds actually cause side effects. Here is a review of Molecular Docking tools which can predict the interactions between two compounds on basis of their biding energy and other parameters. These tools will be analyzed on basis of predictions they make and on basis of this analysis, best tool will be used chosen for making adverse reaction analysis of Dabrafenib, which is an anti-cancer drug administered to melanoma patients.

Department of Biotechnology (IN), Delhi Technological University (IN)
Openalex Percentile: Top 92%
Analytical Methods in Pharmaceuticals
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