AIDDISON: Harnessing the power of AI for drug discovery screening!
Confirming molecular interactions of desirable drug candidates, a new virtual drug discovery begins here.
AIDDISON" is a platform that combines artificial intelligence (AI) and computer-aided drug design (CADD) tools to integrate virtual screening in medicinal chemistry, scaffold hopping, identification of hit compounds, and optimization of lead compounds into one. Using generative methods and machine learning models trained on experimentally validated ADMET data, it guides the search in ultra-large chemical spaces and the de novo design of synthesizable compounds that resemble drugs. It also incorporates well-known robust chemical transformation rules in the SA-space. 【Features】 ■ De novo molecular design ■ Similarity and pharmacophore model searching ■ Shape-based searching ■ Molecular docking simulations For the synthesis of target compounds, we also recommend the retro-synthesis analysis software "SYNTHIA." *For more details, please refer to the PDF materials or feel free to contact us. If you wish to request a demo, please contact us and indicate "Demo Request.
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From research and development of pharmaceuticals to manufacturing and diagnostics, Merck is working to solve various challenges in life sciences in collaboration with the global science community. Merck's products include over 300,000 items, ranging from laboratory pure and ultra-pure water systems to gene editing tools for drug manufacturing, antibodies, cell lines, and end-to-end systems. To realize promising research more quickly and safely, we closely collaborate with customers in academia, the biotechnology industry, and the pharmaceutical industry. Please feel free to contact us for inquiries about our products or if you are interested in raw material supply. Here is the Merck ultra-pure and pure water systems webpage → https://www.merckmillipore.com/LW Here is the Merck life science reagents, raw materials, and analysis webpage → https://www.sigmaaldrich.com/JP/ja