Computational Chemistry Services
Developing in silico solutions in the areas of de novo molecule design, ADMET predictions, Virtual screening, and Reaction modeling
We develop and deploy solutions that complement traditional lab-based approaches with in silico solutions to accelerate and efficiently tackle the complexity, scale, and richness of modern applications of computational chemistry. We reduce Avoidable Experimental Expenditure (AEE) by combining the concepts of cheminformatics and computational chemistry with advances in AI/ML, Cloud, and DevOps to organize, analyze, compute, and extract complex relationships from R&D data.
De novo molecule design
We build solutions for de novo Molecule Design leveraging generative models to improve speed and optimize costs significantly. These solutions are cloud-based, repeatable, and optimized for synthesizability, drug-like characteristics, and biological activity.