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Structure-based drug design is the design and optimization of a chemical structure with the goal of identifying a compound suitable for clinical testing — a drug candidate. It is based on knowledge of ...

Will Kenton is an expert on the economy and investing laws and regulations. He previously held senior editorial roles at Investopedia and Kapitall Wire and holds a MA in Economics from The New School ...

Standardizing structural isomeric relationships and evaluating their distribution in chemical space remain significant challenges in cheminformatics. Here, the authors propose a molecular ...