Deeply involved in the new drug discovery projects of the customers to provide efficient and high quality medicinal chemistry design services. The technology has been applied to practical scenarios such as homology modeling of crystal-free structure targets, scaffold hopping of lead compounds, fragment-based drug design, and molecular docking, improving the efficiency and success rate of project development.
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Based on conventional computer aided drug design (CADD)
Applications in new drug discovery
The virtual high-throughput screening (VHTS), structure-based drug design (SBDD), fragment-based drug design (FBDD) and quantitative structure-activity relationship (QSAR) in CADD allows for significantly shorter cycle and lower cost of development, and higher efficiency in design and development.
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Artificial intelligence-assisted computer based drug design (AIDD)
Applications in new drug discovery
Besides significantly shortening the development period of new drugs and effectively increasing the rate of success, the use of artificial intelligence (AI) for new drug design also allows for effective prediction of drug activity and side effects such as safety. The scenarios for the combination of AI and drug development mainly include drug target prediction high-throughput screening, drug design and prediction of important characteristics of drug absorption, distribution, metabolism, excretion and toxicity.
