At Porton J-STAR, our Computational Chemistry and Data Science capabilities combine advanced computational methods with experimental expertise to accelerate and optimize drug development. By integrating physics-based modeling, molecular simulations, and AI/ML-driven data analysis, we help clients make informed decisions throughout the pharmaceutical development pipeline.
Our expertise spans a broad range of applications designed to reduce risk, shorten development timelines, and lower costs across the pharmaceutical pipeline.
Our specialized capabilities include molecular property prediction, computational modeling, and AI/ML-driven data analysis. These approaches provide valuable insights into reaction kinetics, solid-form screening, and impurity rejection, while industry-standard tools such as Gaussian 16, CASTEP, and DMol3 enable accurate molecular simulations.
Explore our services to discover how our integrated computational and experimental strategies can accelerate pharmaceutical development and help transform your projects.
Computational Chemistry is a growing field intersecting with nearly all disciplines of chemistry, as its ability to accurately model and...
Optimize drug development at J-STAR Research with AI/ML DoE, virtual screening, and quantum chemistry. Faster,…
