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DOI | 10.1039/c7sc00567a |
Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis | |
Kuenemann, Melaine A.2; Szymczyk, Malgorzata1; Chen, Yufei1; Sultana, Nadia1; Hinks, David1; Freeman, Harold S.1; Williams, Antony J.3; Fourches, Denis2; Vinueza, Nelson R.1 | |
发表日期 | 2017-06-01 |
ISSN | 2041-6520 |
卷号 | 8期号:6页码:4334-4339 |
英文摘要 | We present the Max Weaver Dye Library, a collection of similar to 98 000 vials of custom-made and largely sparingly water-soluble dyes. Two years ago, the Eastman Chemical Company donated the library to North Carolina State University. This unique collection of chemicals, housed in the College of Textiles, also includes tens of thousands of fabric samples dyed using some of the library's compounds. Although the collection lies at the core of hundreds of patented inventions, the overwhelming majority of this chemical treasure trove has never been published or shared outside of a small group of scientists. Thus, the goal of this donation was to make this chemical collection, and associated data, available to interested parties in the research community. To date, we have digitized a subset of 2700 dyes which allowed us to start the constitutional and structural analysis of the collection using cheminformatics approaches. Herein, we open the discussion regarding the research opportunities offered by this unique library. |
语种 | 英语 |
WOS记录号 | WOS:000402384900020 |
来源期刊 | CHEMICAL SCIENCE
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来源机构 | 美国环保署 |
文献类型 | 期刊论文 |
条目标识符 | http://gcip.llas.ac.cn/handle/2XKMVOVA/58428 |
作者单位 | 1.North Carolina State Univ, Coll Text, Dept Text Engn Chem & Sci, Raleigh, NC 27695 USA; 2.North Carolina State Univ, Coll Sci, Bioinformat Res Ctr, Dept Chem, Raleigh, NC 27695 USA; 3.US EPA, Natl Ctr Computat Toxicol, Res Triangle Pk, NC 27711 USA |
推荐引用方式 GB/T 7714 | Kuenemann, Melaine A.,Szymczyk, Malgorzata,Chen, Yufei,et al. Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis[J]. 美国环保署,2017,8(6):4334-4339. |
APA | Kuenemann, Melaine A..,Szymczyk, Malgorzata.,Chen, Yufei.,Sultana, Nadia.,Hinks, David.,...&Vinueza, Nelson R..(2017).Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis.CHEMICAL SCIENCE,8(6),4334-4339. |
MLA | Kuenemann, Melaine A.,et al."Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis".CHEMICAL SCIENCE 8.6(2017):4334-4339. |
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