Open AccessComputer Aided Drug Design Based on Artificial Intelligence Algorithm
Author(s) -
Wenye Yu,
Zhenyu Chen
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/2066/1/012012
Subject(s) - docking (animal) , ant colony optimization algorithms , computer science , protein–ligand docking , algorithm , computer aided , artificial intelligence , drug discovery , bioinformatics , biology , virtual screening , medicine , nursing , programming language
The problems such as high cost and long development time in drug design and development have an important impact on its development, which makes many scholars devote themselves to looking for the auxiliary model of drug design. With the rapid development of computer technology, computer-aided drug molecular research model is more and more mature. This paper aims to study the computer-aided drug system based on artificial intelligence algorithm, so that researchers can speed up the process and reduce the cost when searching for specific protein molecules. In this paper, the principle of complementary matching in the docking process of target molecules and ligands, which is commonly used in drug design, is described, and the functional expression mode and various docking methods of molecular docking are studied. Finally, the research hotspots of molecular docking technology are analyzed, including scoring function, search strategy and flexible protein docking. Ant colony algorithm is introduced into molecular docking platform as a variant of conformation search algorithm, and a new plants algorithm is developed. Finally, the implementation of plants algorithm is analyzed in detail, and the optimized plants system and gold system based on genetic algorithm are simulated, and the relevant experimental data are counted. The simulation results show that the new drug design method based on ant colony algorithm has advantages in docking success rate, docking speed and docking accuracy. The success rate of plants is higher than that of gold, and the docking time is only 1/6 of that of gold.