Datasets:
Tasks:
Tabular Classification
Modalities:
Text
Formats:
csv
Languages:
English
Size:
10K - 100K
License:
haneulpark
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Update README.md
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README.md
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Finally, the RLM stability data set contains 3108 compounds, and the HLM stability data set contains 5902 compounds.
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For the RLM stability data set, 1542 (49.6%) compounds were classified as stable, and 1566 (50.4%) compounds were classified as unstable,
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among which the training and test sets contain 2512 and 596 compounds, respectively.
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The experimental data from the National Center for Advancing Translational Sciences (PubChem AID 1508591) were used as the external set.
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For the HLM data set, 3799 (64%) compounds were classified as stable, and 2103 (36%) compounds were classified as unstable.
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In addition, an external set from Liu et al.12 was used to evaluate the predictive power of the HLM model.
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Finally, the RLM stability data set contains 3108 compounds, and the HLM stability data set contains 5902 compounds.
|
118 |
For the RLM stability data set, 1542 (49.6%) compounds were classified as stable, and 1566 (50.4%) compounds were classified as unstable,
|
119 |
among which the training and test sets contain 2512 and 596 compounds, respectively.
|
120 |
+
The experimental data from the National Center for Advancing Translational Sciences (PubChem AID 1508591) were used as the RLM external set.
|
121 |
For the HLM data set, 3799 (64%) compounds were classified as stable, and 2103 (36%) compounds were classified as unstable.
|
122 |
In addition, an external set from Liu et al.12 was used to evaluate the predictive power of the HLM model.
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123 |
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