Combining AI and computational chemistry, we developed a series of innovative methods to address challenging drug discovery and design tasks, including molecular structure generation, binding affinity prediction, and key drug property predictions. Based on these AI-empowered capabilities, we are working with industry partners in the one-stop drug discovery of small molecules and macromolecule services, to improve research efficiency, reduce costs, and increase the overall success rate of innovative therapeutics in R&D.
Our integrated drug research platform focuses on hit identification and lead optimization to produce high-quality pre-clinical candidate molecules. Our workflow is empowered by AI computation, wet lab experimentation and research experience in medicinal chemistry. Our work scope is comprehensive and includes molecule generation, evaluation on drug-like properties and optimization, ADMET properties prediction, chemical synthesis and biological functional studies. Leveraging our platform, we aspire to revolutionize the classical methods for drug discovery and development by improving the speed, scale, novelty and diversity for pharmaceutical innovations in China and around the world.
Comprised of experts in protein science, biochemistry, biophysics, medicinal and computational chemistry, and discovery scientists with expertise in pre-clinical development, our drug R&D team is applying the integrated technology platform-based approach and our practical expertise across a portfolio of internal and external drug discovery programs spanning across a wide range of disease targets and indications. We continue to develop and expand our research capabilities in other drug modalities, including antibodies and RNAs.
Deploying our integrated technology platform, we provide one-stop drug discovery services. The services generally cover developmental stages from early hit generation to IND-enabling studies for the initiation of Phase I clinical trials. In addition to one-stop drug discovery services, we establish drug discovery collaborations with drug developers. With our industry-leading, AI-powered capabilities and practical experience, we are able to assist our customers and collaborators to tackle problems efficiently in early drug discovery and development and to conduct discovery of novel therapeutics at a pace and scale beyond those with the traditional wet lab-based approaches.
For solid-state R&D of small molecule drugs, our solution integrates several state-of-the-art technologies for crystal structure prediction, crystal structure determination, virtual screening of salts and cocrystals, as well as an advanced solid-state R&D experimental platform. We are dedicated to creating the next-generation platform for solid-state R&D for small molecules by combining experimental screening and characterization with theoretical calculations and analyses, and providing novel solutions for the solid-state R&D. At XtalPi, we help our clients improve the quality and efficiency of solid-state R&D and reduce related risks and costs.
We offer services in experimental solid-state screening, crystallization process scale-up, and systematic characterization of crystal forms with desired properties, and recommend the ideal solid state to use in drug development based on systematic assessments.
Our solid-state research and development platform combines experimental data and theoretical analyses to reliably determine the crystal structures of solid forms.
We provide professional crystallization process development services to help clients effectively improve their solid drug production efficiency.
Named as one of the most promising private med-tech companies in the industry
Expanding the tried-and-true "AI drug discovery + novel organoid disease models" paradigm to new cancer drug pipeline collaboration
The partnership will leverage XtalPi’s highly accurate physics-based models and machine learning models to develop potential novel chemical entities for a cancer target.