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@@ -35,18 +35,12 @@ The task is to predict the binding results for a set of inhibitors of CYP2D6 enz
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  ## References
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  <a id="1">[1]</a>
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- Govindan Subramanian et al.
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- "Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using
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- Ligand Based Approaches"
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- J. Chem. Inf. Model. 2016, 56, 10, 1936–1949
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  https://www.nature.com/articles/nbt.1581
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  <a id="2">[2]</a>
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- Wu, Zhenqin, et al.
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- "MoleculeNet: a benchmark for molecular machine learning."
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- Chemical Science 9.2 (2018): 513-530
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- https://pubs.rsc.org/en/content/articlelanding/2018/sc/c7sc02664a
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-
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  Huang, Kexin et al.
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  "Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development."
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  Proceedings of the Neural Information Processing Systems Track on Datasets and Benchmarks (Vol. 1), 2021
 
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  ## References
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  <a id="1">[1]</a>
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+ Veith, Henrike, et al.
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+ "Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries"
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+ Nature Biotechnology 27.11 (2009): 1050-1055
 
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  https://www.nature.com/articles/nbt.1581
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  <a id="2">[2]</a>
 
 
 
 
 
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  Huang, Kexin et al.
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  "Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development."
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  Proceedings of the Neural Information Processing Systems Track on Datasets and Benchmarks (Vol. 1), 2021