Graph Generation of Protein-Ligand

Our service offers AI/ML-based IC50 prediction, leveraging advanced algorithms to provide accurate insights into the inhibitory concentration (IC50) of compounds. Additionally, we specialize in the generation of dynamic protein-ligand interaction graphs, allowing for a comprehensive visualization of molecular interactions. Our cutting-edge tools empower researchers and drug discovery professionals to expedite the identification of potential drug candidates and gain deeper insights into protein-ligand binding dynamics.

Graph Neural Network

Our service leverages the power of Graphical Neural Networks (GNNs) to predict IC50 values with exceptional accuracy. Through the innovative application of GNNs, we provide a highly specialized solution for IC50 prediction, enabling researchers and pharmaceutical professionals to rapidly and precisely estimate the inhibitory concentration (IC50) of compounds. This cutting-edge technology revolutionizes drug discovery by harnessing the potential of neural networks to enhance predictive modeling and accelerate the identification of potential drug candidates.

Separating Decoys Ligand from True Ligand

Our service offers AI/ML-based classification, specifically designed to distinguish between decoy ligands and true ligands with precision and efficiency. Using state-of-the-art algorithms, we provide a robust solution for sorting and identifying true ligands amidst decoy compounds, streamlining the drug discovery process. Our cutting-edge technology enhances the accuracy of ligand screening, saving researchers valuable time and resources in identifying promising drug candidates.