Receptor.AI Introduces ArtiDock

A groundbreaking AI model in drug discovery setting new standards in AI docking with unmatched speed and precision

Receptor.AI has introduced ArtiDock, a groundbreaking AI docking model that predicts ligand binding poses with unparalleled speed and accuracy, establishing a new standard in drug discovery. ArtiDock eclipses leading AI and conventional docking programs, such as Vina and Gold, and rivals the performance of the latest programs like AlphaFold. For a graphical representation of ArtiDock's comparative performance on the Astex dataset, refer to Figure 1.

Figure 1. Comparative performance of the docking methods, Astex Diverse set

The secret to ArtiDock's success lies in its innovative combination of data augmentation and a streamlined architecture, enabling it to recognize a wider array of intermolecular interactions by training on both artificial and real complexes. This results in significantly improved accuracy and predictive power. ArtiDock's dominance was particularly evident in benchmark tests on the PoseBusters dataset, where its speed and precision were showcased to be 600 times faster than competing models, including the latest version of AlphaFold. Figure 2 illustrates ArtiDock's comparative performance on the PoseBusters dataset.

Figure 2. Comparative performance of the docking methods, PoseBusters set

ArtiDock stands out for its operational speed, crucial for virtual screening, making it vastly more efficient than its counterparts. This efficiency is visually summarized in Figure 3, comparing inference speeds among studied techniques, further emphasizing ArtiDock's superior speed without sacrificing quality. Figure 4 offers a comparative analysis of structural metrics, demonstrating ArtiDock's superior performance.

Figure 3. Approximate runtime per sample for docking methods
Figure 4. Percentage of predictions passing quality check from PoseBusters

In essence, ArtiDock represents a significant leap forward in AI-driven drug discovery, offering an optimal balance of quality and efficiency. Receptor.AI's ongoing improvements to ArtiDock promise to further its impact, marking a new era in the field.