Research data supporting "Applying Support-Vector Machine Learning Algorithms towards Predicting Host-Guest Interactions with Cucurbit[7]uril"

Thumbnail
View / Open Files
Authors
  Scherman, Oren
Tabet, Anthony
Gebhart, Thomas
Wu, Guanglu
Readman, Charlie
Pierson Smela, Merrick
Rana, Vijay
Publication Date
2020-07-02
Type
Dataset
Metadata
Show full item record
Citation
Scherman, O., Tabet, A., Gebhart, T., Wu, G., Readman, C., Pierson Smela, M., Rana, V., et al. (2020). Research data supporting "Applying Support-Vector Machine Learning Algorithms towards Predicting Host-Guest Interactions with Cucurbit[7]uril" [Dataset]. https://doi.org/10.17863/CAM.54504
Description
DFT simulations were run using Gaussian 09 on organic small molecules that are known guests to cucurbit[7]uril. Controls are also included. This data supports the manuscript entitled "Applying Support-Vector Machine Learning Algorithms towards Predicting Host-Guest Interactions with Cucurbit[7]uril".
Format
Gaussian 09
Keywords
DFT simulations
Relationships
Publication Reference: https://doi.org/10.1039/C9CP05800Ahttps://www.repository.cam.ac.uk/handle/1810/307110
Sponsorship
EPSRC (EP/L027151/1)
Leverhulme Trust (RP2013-SL-008)
Identifiers
This record's DOI: https://doi.org/10.17863/CAM.54504

Rights
Attribution 4.0 International, Attribution 4.0 International
Licence URL: http://creativecommons.org/licenses/by/4.0/http://creativecommons.org/licenses/by/4.0/

Attribution 4.0 International
Except where otherwise noted, this item's licence is described as Attribution 4.0 International