Figures index

From

AI Integrated Theoretical/Organic Chemistry is Set to Revolutionize the Future of Education and De Novo Drug Discovery

Soykan Agar, Ilgaz Tokay, Barbaros Akkurt, Erkan Gokoluk, M. Berk Akbulut, Berin Damla Ozler, Muzaffer Elmas

World Journal of Chemical Education. 2024, 12(4), 72-80 doi:10.12691/wjce-12-4-1
  • Figure 1. De novo drug design from scratch using AI integrated tools combined with theoretical/organic chemistry software
  • Figure 2. The Educational and Applied AI integrated De novo Drug Discovery Research Group Hierarchy in ‘’AGAR In Silico Drug Design Center’’ within the Faculty of Pharmacy at Kocaeli Health and Technology University
  • Figure 3. Molecular Docking is the key to find drug candidates for target molecules of diseases
  • Figure 4. Drug candidate characterization using theoretical 1H NMR tools
  • Figure 5. Virtual Screening to create a library of efficient drug molecules using AI integration
  • Figure 6. Hit Discovery with AI integration to find the correct molecules suppressing the diseases of interest