jablonkagroup/kcnq2_potassium_channel_butkiewicz
Dataset Details Dataset Description This dataset was initially curated from HTS data at the PubChem database. Details are reported by Butkiewicz et al. (2013). Primary screen AID 2239, AID 2287 validated active compounds to be potentiators. Counter screens are AID 2282, AID 2283, and AID 2558. Final set of 213 active compounds was acquired by removing the active compounds of AID 2282, AID 2283 and AID 2558 from the confirmatory screen active set of compounds (AID… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/kcnq2_potassium_channel_butkiewicz.
Dataset Details
Dataset Description
This dataset was initially curated from HTS data at the PubChem database. Details are reported by Butkiewicz et al. (2013). Primary screen AID 2239, AID 2287 validated active compounds to be potentiators. Counter screens are AID 2282, AID 2283, and AID 2558. Final set of 213 active compounds was acquired by removing the active compounds of AID 2282, AID 2283 and AID 2558 from the confirmatory screen active set of compounds (AID 2287).
- Curated by:
- License: CC BY 4.0
Dataset Sources
Citation
<!-- If there is a paper or blog post introducing the dataset, the APA and Bibtex information for that should go in this section. -->
BibTeX:
@article{Butkiewicz2013,
doi = {10.3390/molecules18010735},
url = {https://doi.org/10.3390/molecules18010735},
year = {2013},
month = jan,
publisher = {{MDPI} {AG}},
volume = {18},
number = {1},
pages = {735--756},
author = {Mariusz Butkiewicz and Edward Lowe and Ralf Mueller and
Jeffrey Mendenhall and Pedro Teixeira and C. Weaver and Jens
Meiler},
title = {Benchmarking Ligand-Based Virtual High-Throughput
Screening with the {PubChem} Database},
journal = {Molecules}}
@article{Kim2018,
doi = {10.1093/nar/gky1033},
url = {https://doi.org/10.1093/nar/gky1033},
year = {2018},
month = oct,
publisher = {Oxford University Press ({OUP})},
volume = {47},
number = {D1},
pages = {D1102--D1109},
author = {Sunghwan Kim and Jie Chen and Tiejun Cheng and Asta
Gindulyte and Jia He and Siqian He and Qingliang Li and Benjamin
A Shoemaker and Paul A Thiessen and Bo Yu and Leonid Zaslavsky
and Jian Zhang and Evan E Bolton},
title = {{PubChem} 2019 update: improved access to chemical data},
journal = {Nucleic Acids Research}}
@article{Butkiewicz2017,
doi = {},
url = {https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5962024/},
year = {2017},
publisher = {Chem Inform},
volume = {3},
number = {1},
author = {Butkiewicz, M. and Wang, Y. and Bryant, S. H. and Lowe,
E. W. and Weaver, D. C. and Meiler, J.},
title = {{H}igh-{T}hroughput {S}creening {A}ssay {D}atasets from
the {P}ub{C}hem {D}atabase}},
journal = {Chemical Science}}