Research data supporting "Applying Support-Vector Machine Learning Algorithms towards Predicting Host-Guest Interactions with Cucurbit[7]uril"
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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".
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Gaussian 09
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Except where otherwised noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)
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Engineering and Physical Sciences Research Council (EP/L027151/1)
Leverhulme Trust (RP2013-SL-008)
Leverhulme Trust (RP2013-SL-008)