In the field of pharmaceutical development, pharmaceutical process chemists are very concerned about what molecules, which react more valuable. Recently, Novartis Institute of Biomedical and a British software company, research in the United States between 1976 and 2015 published patent situation reveals that pharmaceutical chemists 40 years in which research, drug development and trends in the changes. The findings help to understand the development of the drug most commonly used in chemical reactions.
According to the American Association of Chemistry and Chemical Engineering website reported that previous studies used data mostly from scientific journals, notes and other electronic laboratory pharmaceutical companies. However, the research team believes that the patent data can discover more things. Conventional wisdom holds that because the industry is used to construct novel chemical structure, may not be published in the scientific literature, or even after a long time also published things.
The researchers recently published in the “Pharmaceutical Chemistry” magazine paper, the new research using chemical informatics tools NextMove software development company, surveyed 200,000 patent applications and approved by the United States, which uses about 1.3 million chemical The reaction and the model data. Through text mining, the researchers extracted the 1.15 million unique full response plan, including the role and the reaction product, and then to classify these reactions using an expert system, and into some well-known reaction types. It was found that chemists did more preference for certain types of reactions, such as an amide bond formation, deprotection or C-C bond formation.
Responsible for the study of Novartis Nadine Schneider and his team through computational analysis reveals the rise and fall fluctuations chemists preferences “bread and butter” response. With drugs new strategies and the evolution of species, study the situation also will be changed. As Suzuki – Miyaura coupling reaction (a primary method of CC bond Construction) has entered the ranking, which led to some of the traditional use of chemical reactions declined as synthetic olefin Wittig (Wittig) reaction, while others Some still maintain a strong position, such as Grignard (Grignard) reaction.