CompRet is expected to promote desirable enumeration-based chemical synthesis searches and aid the development of an interactive CASP framework for chemists. cetirizine solution (2.5mg twice a day) is expected to be two-fold higher than that observed in adults receiving a dose of 10 mg cetirizine tablets once a day. In a preliminary experiment, CompRet was shown to successfully provide alternative routes for a known antihistaminic drug, cetirizine. Herein, we propose a chemical-reaction-network-based synthetic route recommendation framework called "CompRet" with a mathematically guaranteed enumeration algorithm. antihistamine for reduced asthma rescue medication use (moderate SOE). To avoid this, an exact algorithm that lists possible synthetic routes from the chemical reaction network is required, alongside a recommendation of synthetic routes that meet specified criteria based on chemist's objectives. However, the conclusions and synthesis of the scientific literature presented in. As the majority of CASP programs have been designed to provide one or a few optimal routes, it is likely that desired one will not be included. In computer-assisted synthesis planning (CASP) programs, providing chemical synthetic routes as many as possible is essential for considering optimal and alternative routes in a chemical reaction network.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. Archives
March 2023
Categories |