Iktos has developed a state-of-the-art Structure-based generative AI pipeline with the goal of overcoming the shortcomings of traditional virtual screening processes. This pipeline generates new molecules with high predicted activity on the protein target while also maintaining critical drug-like characteristics. By maximizing 3D scores and/or interactions with key pocket residues, this technology increases the odds of identifying novel molecules with desired properties earlier in a drug discovery project.
We will present a case-study to demonstrate the benefits and capabilities of the generative AI technology developed at Iktos.