Recognition of De Novo Drug Design for Targeted Chemical Libraries through Optimization Techniques
K S Balamurugan, Sundara Rajulu Navaneethakrishnan, Senduru Srinivasulu, D. Kumutha, R Surendran · 2024
The process of De Novo drug design involves the integration of artificial intelligence with computational intelligence techniques. The proposed system aims to provide precision therapeutics through the development of targeted chemical libraries designed for individual patient’s needs. They also highlight the potential impact of precision medicine. The traditional approach involves trial and error methods in the combination of various chemicals for desired drug discovery that leads to the waste of time and energy. These challenges are overcome through the aid of artificial intelligence techniques. The interaction of molecules, physiochemical properties, and biological interaction of potential drugs are obtained through the aid of optimization algorithms. With the integration of computational intelligence, the design structure becomes more adaptable. This helps in the formation of chemically diverse compound libraries. The important aspect of the proposed system involves the ability of advanced precision therapeutics. The clinical information is necessary for the identification of molecular targets achieved through the aid of optimization algorithms. These obtained targets are necessary for the development of new drugs with high affinity and specificity. This helps in minimizing the off-target effects which improves the therapeutic efficacy. The novel molecular structure is generated using the Generative Adversarial Networks (GAN). The compound properties are optimized using reinforcement and an iterative learning process. The simpler structure of drug-like molecules is obtained through an evolutionary algorithm. Thus the proposed system provides rapid exploration of chemical space that leads to the formation of chemical compounds with personalized pharmacological profiles.