Our publication in the Journal of Chemical Information and Modeling,"How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space" (http://pubs.acs.org/doi/abs/10.1021/ci400469u),by first authors Shardul Paricharak and Alexios Koutsoukas of the Unilever Centre for Molecular Informatics, together with co-authors Prof. David Spring and Dr. Warren Galloway from the Department of Chemistry, has been recommended by F1000Prime. F1000Prime is an in-depth directory of top articles in biology and medicine, as recommended by a Faculty of more than 5,000 expert scientists and clinical researchers.
The work compares different molecular descriptors and methods with respect to their ability to judge the diversity of chemical compounds in bioactivity space, which is an important design criterion for libraries used for biological screening. Suzanne Walker from Harvard Medical School who has been recommending the article concludes that "These surprising and informative results underscore the importance of selecting appropriate measures of chemical diversity used to generate 'diversity-oriented' chemical libraries".
The full review is available at the following address:http://F1000Prime.com/718195292#eval793489228.
The article is also the most-accessed article of the month, and can be accessed athttp://pubs.acs.org/doi/abs/10.1021/ci400469u.