1/1
2 files

Hair Dye Substance Database (HDSD)

dataset
posted on 09.02.2018, 16:40 by Tova N. WilliamsTova N. Williams, Melaine A. Kuenemann, George A. Van Den Driessche, Antony WilliamsAntony Williams, Denis Fourches, Harold S. Freeman
Fully 2D-curated database of 313 QSAR-ready hair dye substances available for download as Excel spreadsheet or SDF (structure-data file). Includes information such as substance name, structure, CASRNs, DTXSIDs, classes, color (if applicable), and computed properties. SDF can be opened using chemical drawing software such as ChemDraw Professional or MarvinView. Marvin (ChemAxon) can be downloaded at: https://chemaxon.com/products/marvin/download

New with Version 3: Better defined structures for substances with HDSD ID: 91, 99 and 110 (aromaticity issues resolved).

For details regarding database development, analysis, and potential applications, see https://dx.doi.org/10.1021/acssuschemeng.7b03795.

We are seeking to improve the HDSD. Please contact Tova N. Williams at tovanwilliams@gmail.com for suggestions.

History