Incorporating Green Chemistry Concepts into Mobile Chemistry Applications and Their Potential Uses

被引:26
作者
Ekins, Sean [1 ]
Clark, Alex M. [2 ]
Williams, Antony J. [3 ]
机构
[1] Collaborat Chem, Fuquay Varina, NC 27526 USA
[2] Mol Mat Informat, Montreal, PQ H3J 2S1, Canada
[3] Royal Soc Chem, Wake Forest, NC 27587 USA
关键词
Drug discovery; Green chemistry; Mobile applications; Open Drug Discovery Teams; MOLECULAR SIMILARITY; DRUG;
D O I
10.1021/sc3000509
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Green Chemistry related information is generally proprietary, and papers on the topic are commonly behind pay walls that limit their accessibility. Several new mobile applications (apps) have been recently released for the Apple iOS platform, which incorporate green chemistry concepts. Because of the large number of people who now own a mobile device across all demographics, this population represents a highly novel way to communicate green chemistry, which has not previously been appreciated. We have made the American Chemical Society Green Chemistry Institute (ACS GCI) Pharmaceutical Roundtable Solvent Selection Guide more accessible and have increased its visibility by creating a free mobile app for the Apple iOS platform called Green Solvents. We have also used this content for molecular similarity calculations using additional solvents to predict potential environmental and health categories, which could help in solvent selection. This approach predicted the correct waste or health class for over 60% of solvents when the Tanimoto similarity was >0.5. Additional mobile apps that incorporate green chemistry content or concepts are also described including Open Drug Discovery Teams and Yield101. Making green chemistry information freely available or at very low cost via such apps is a paradigm shift that could be exploited by content providers and scientists to expose their green chemistry ideas to a larger audience.
引用
收藏
页码:8 / 13
页数:6
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