Research data supporting "Applying Support-Vector Machine Learning Algorithms towards Predicting Host-Guest Interactions with Cucurbit[7]uril"
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https://www.repository.cam.ac.uk/handle/1810/307497
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资源简介：
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".
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2020-06-29
