Extended descriptions
Browse files
README.md
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in the TSV format (tab-separated-values) and can be opened in any text editor
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or tabular editor.
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The dataset contains no missing data. The source of randomness in the data
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comes from the initialization of the compound's concentrations and randomness
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of the location of the compounds in the bounding box. Despite the fact that
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in the TSV format (tab-separated-values) and can be opened in any text editor
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or tabular editor.
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The features in the dataset correspond to the following molecules:
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* `GTP` - [Guanosine triphosphate](https://en.wikipedia.org/wiki/Guanosine_triphosphate),
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* `H20` - [Water](https://en.wikipedia.org/wiki/Water),
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* `CIS-ACONITATE` - [Aconitic acid](https://en.wikipedia.org/wiki/Aconitic_acid),
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* `MALATE` - [Malic acid](https://en.wikipedia.org/wiki/Malic_acid),
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* `OXALOACETATE` - [Oxaloacetic acid](https://en.wikipedia.org/wiki/Oxaloacetic_acid),
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* `FAD` - [Flavin adenine dinucleotide](https://en.wikipedia.org/wiki/Flavin_adenine_dinucleotide),
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* `SUCCINYL-COA` - [Succinyl-coenzyme A](https://en.wikipedia.org/wiki/Succinyl-CoA),
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* `NAD` - [Nicotinamide adenine dinucleotide](https://en.wikipedia.org/wiki/Nicotinamide_adenine_dinucleotide),
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* `A-K-GLUTARATE` - [α-Ketoglutaric acid](https://en.wikipedia.org/wiki/%CE%91-Ketoglutaric_acid),
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* `GDP` - [Guanosine diphosphate](https://en.wikipedia.org/wiki/Guanosine_diphosphate),
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* `NADH` - [Nicotinamide adenine dinucleotide](https://en.wikipedia.org/wiki/Nicotinamide_adenine_dinucleotide),
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* `CITRATE` - [Citric acid](https://en.wikipedia.org/wiki/Citric_acid), the molecule that has given the cycle one of its names,
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* `SUCCINATE` - [Succinic acid](https://en.wikipedia.org/wiki/Succinic_acid),
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* `ISOCITRATE` - [Isocitric acid](https://en.wikipedia.org/wiki/Isocitric_acid), and
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* `ACETY-COA` - [Acetyl coenzyme A](https://en.wikipedia.org/wiki/Acetyl-CoA).
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Whenever the concentrations are absolute (please see the table above),
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the features show the number of individual molecules in the mix. Whenever
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the concentrations are relative, the concentrations are normalized to zero-one
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interval.
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The dataset contains no missing data. The source of randomness in the data
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comes from the initialization of the compound's concentrations and randomness
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of the location of the compounds in the bounding box. Despite the fact that
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