Machine learning and computer-aided drug design to improve drug discovery
CompanyMerck KGaA, Darmstadt, Germany
AIDDISON™ is an AI-based software that combines machine learning (ML) and computer-aided drug design (CADD) in one platform to optimize drug discovery. By integrating all the necessary online tools in just one program, time-consuming work steps such as transferring and reformatting huge data sets are avoided. The complex calculations of the integrated cloud-native systems enable screening for complex 2D/3D structures and an assessment of the ligands they bind. By developing drug-like molecules, the ML system is continuously trained, which in turn increases the diversity of the screening results. The files fed in and the results obtained are managed according to the highest security standards and transmitted to the researchers in accordance with data protection regulations. Overall, AIDDISON™ can be evaluated as a comprehensive digital solution that can help accelerate the search for suitable active ingredients and improve the accuracy of pharmaceutical predictions.
AIDDISON™ AI-powered drug discovery
www.sigmaaldrich.com
Added on: 02-20-2024
[1] https://www.sigmaaldrich.com/DE/en/services/software-and-digital-platforms/aiddison-ai-powered-drug-discovery
