Research
My research focuses on the development and application of artificial intelligence systems for various aspects of drug discovery and chemical toxicity assessment. I hope to improve the efficiency and effectiveness of the drug discovery process by leveraging the power of computational methods and machine learning algorithms.
One aspect of my research involves the development of novel drugs using artificial intelligence systems. I use advanced algorithms to analyze large datasets and identify potential drug candidates with desired properties. For example, I have created AI-based systems for the design of "magic shotgun drugs," which are multi-target drugs with improved efficacy and fewer side effects. These systems employ predictive models and virtual screening techniques to identify drug candidates that can target multiple disease-related proteins at the same time.
Another aspect of my research focuses on the computational assessment of chemical compounds for toxicity. I use machine learning models and molecular docking simulations to assess the potential toxicity of compounds, including their effects on human health and the environment. My research seeks to guide the selection of safer compounds and reduce the need for extensive animal testing by predicting toxicity early in the drug discovery process.
In addition, I have contributed to the development of web-based applications and frameworks that aid in the automation of predictive machine learning models for drug discovery. These tools allow researchers to streamline the process of developing and evaluating predictive models, ultimately accelerating the discovery of new drug candidates.
Overall, my research uses artificial intelligence and computational methods to improve various aspects of drug discovery, such as drug design, toxicity assessment, and the development of predictive models. My research aims to drive advancements in the field by combining these novel approaches with traditional experimental methods, ultimately contributing to the development of safer and more effective drugs.