Drug crystal form is very important for pharmaceutical companies. It not only determines the clinical effect of small molecule drugs, but also has great patent value. Therefore, crystal prediction is of great significance in pharmaceutical industry. Artificial intelligence technology developed by MedAI, can improve the effect of crystallographic prediction to a great extent. The 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.
Solutions for prediction of drug crystal form mainly rely on experimental screening. MedAI provides accurate prediction of the relative thermodynamic stabilities of different crystal structures through large-scale virtual crystal structure generation and high-precision energy calculation.
Solid forms of potential drugs can be free form, salt, co-crystal or an amorphous form, which may have varying physical and chemical properties. To find out the best solid form for clinical study, it is significant to have systematic solid form screening and selection.
The traditional and common method to identify the crystalline form is X-Ray Powder Diffraction (XRPD). But the XRPD signal is the superposition of the diffraction intensity solid powder particles in large numbers. It doesn’t provide enough information to confirm the crystal phase of solid powder. MedAI has developed a crystal structure analysis technology, which can obtain the 3D structure information of drug solids.
Services of crystal form testing and evaluation include X-ray diffractometer (XRD), Thermogravimetric analysis (TGA), Differential scanning calorimetry (DSC), Dynamic vapor sorption analysis (DVS), and Hot stage microscopy (HSM).
MedAI offers solutions that empower therapeutic research and help pharmaceutical companies cope with the many challenges in drug discovery, especially in the development process of a scientific and reasonable crystallization. MedAI performs comprehensive services of crystal forms with desired properties, making recommendations to customers based on systematic assessments.
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