Update config_prediction_polymers.yaml
Browse files- config_prediction_polymers.yaml +39 -39
config_prediction_polymers.yaml
CHANGED
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@@ -4,155 +4,155 @@ input_mapping:
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comp_type: Slider
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minimum: 0
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maximum: 100
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-
step: 1
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| 8 |
example: 0
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| 9 |
'%ADP':
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| 10 |
label: "Percentage of DP"
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| 11 |
comp_type: Slider
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| 12 |
minimum: 0
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maximum: 100
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| 14 |
-
step: 1
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| 15 |
example: 0
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| 16 |
'%DDDA':
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label: "Percentage of DDDA"
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| 18 |
comp_type: Slider
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minimum: 0
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maximum: 100
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| 21 |
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step:
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| 22 |
example: 0
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| 23 |
'%AZL':
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label: "Percentage of AZL"
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| 25 |
comp_type: Slider
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| 26 |
minimum: 0
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| 27 |
maximum: 100
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| 28 |
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step: 1
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| 29 |
example: 0
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| 30 |
'%1,4-CHDA':
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label: "Percentage of 1.4-CHDA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 1
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example:
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'%1,4-CHDA (95% trans)':
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label: "Percentage of 1.4-CHDA (95% trans)"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 1
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example: 0
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| 44 |
'%1,3-CHDA':
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label: "Percentage of 1.3-CHDA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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| 49 |
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step: 1
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| 50 |
example: 0
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| 51 |
'%1,2-CHDA':
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label: "Percentage of 1.2-CHDA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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| 56 |
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step: 1
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| 57 |
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example:
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| 58 |
'%HHPA':
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label: "Percentage of HHPA"
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| 60 |
comp_type: Slider
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| 61 |
minimum: 0
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maximum: 100
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| 63 |
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step: 1
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| 64 |
example: 0
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| 65 |
'%PA':
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label: "Percentage of PA"
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| 67 |
comp_type: Slider
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minimum: 0
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maximum: 100
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| 70 |
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step: 1
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| 71 |
example: 0
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| 72 |
'%IPA':
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label: "Percentage of IPA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 1
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example:
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'%TPA':
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label: "Percentage of TPA"
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| 81 |
comp_type: Slider
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minimum: 0
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maximum: 100
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| 84 |
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step: 1
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example:
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| 86 |
'%TMA':
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label: "Percentage of TMA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 1
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example:
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'%EG':
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label: "Percentage of EG"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 1
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| 99 |
example: 0
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| 100 |
'%DEG':
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label: "Percentage of DEG"
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| 102 |
comp_type: Slider
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minimum: 0
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maximum: 100
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step: 1
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example:
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'%1,3-PROP':
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label: "Percentage of 1.3-PROP"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 1
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example: 0
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'%1,4-BUT':
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label: "Percentage of 1.4-BUT"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 1
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-
example:
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'%HDO':
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label: "Percentage of HDO"
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comp_type: Slider
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minimum: 0
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maximum: 100
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-
step: 1
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example: 0
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| 128 |
'%NPG':
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label: "Percentage of NPG"
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| 130 |
comp_type: Slider
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minimum: 0
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maximum: 100
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-
step: 1
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example: 0
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'%1,4-CHDM':
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label: "Percentage of 1.4-CHDM"
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comp_type: Slider
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minimum: 0
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maximum: 100
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-
step: 1
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-
example:
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'%1,3-CHDM':
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label: "Percentage of 1.3-CHDM"
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comp_type: Slider
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minimum: 0
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maximum: 100
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-
step: 1
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example: 0
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| 149 |
'%TMCD':
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label: "Percentage of TMCD"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 1
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example: 50
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'%TMP':
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label: "Percentage of TMP"
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comp_type: Slider
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@@ -165,30 +165,30 @@ input_mapping:
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| 165 |
comp_type: Slider
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| 166 |
minimum: 0
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maximum: 100
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| 168 |
-
step: 1
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| 169 |
-
example: 0
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| 170 |
'%TCDDM':
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label: "Percentage of TCDDM"
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comp_type: Slider
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minimum: 0
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maximum: 100
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| 175 |
-
step: 1
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example: 0
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| 177 |
'Mw (PS)':
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label: "Weight-average molecular weight (PS)"
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comp_type: Number
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precision: 0
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| 181 |
-
example:
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'AN':
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label: "Acid number"
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comp_type: Number
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precision:
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example: 4.
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'OHN':
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label: "Hydroxyl number"
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comp_type: Number
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precision: 0
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-
example:
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input_order:
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@@ -243,7 +243,7 @@ inference:
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scaler_inputs_path: ""
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scaler_targets_path: ""
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explainer_path: ""
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-
inverse_design:
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webapp:
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| 4 |
comp_type: Slider
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| 5 |
minimum: 0
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| 6 |
maximum: 100
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| 7 |
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step: 0.1
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| 8 |
example: 0
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| 9 |
'%ADP':
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| 10 |
label: "Percentage of DP"
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| 11 |
comp_type: Slider
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| 12 |
minimum: 0
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| 13 |
maximum: 100
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step: 0.1
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| 15 |
example: 0
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| 16 |
'%DDDA':
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label: "Percentage of DDDA"
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| 18 |
comp_type: Slider
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minimum: 0
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maximum: 100
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step: 0.11
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| 22 |
example: 0
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| 23 |
'%AZL':
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label: "Percentage of AZL"
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| 25 |
comp_type: Slider
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| 26 |
minimum: 0
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maximum: 100
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| 28 |
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step: 0.1
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| 29 |
example: 0
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| 30 |
'%1,4-CHDA':
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label: "Percentage of 1.4-CHDA"
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| 32 |
comp_type: Slider
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minimum: 0
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maximum: 100
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step: 0.1
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example: 30.5
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'%1,4-CHDA (95% trans)':
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label: "Percentage of 1.4-CHDA (95% trans)"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 0.1
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example: 0
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'%1,3-CHDA':
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label: "Percentage of 1.3-CHDA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 0.1
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example: 0
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'%1,2-CHDA':
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label: "Percentage of 1.2-CHDA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 0.1
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example: 0
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'%HHPA':
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label: "Percentage of HHPA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 0.1
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example: 0
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'%PA':
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label: "Percentage of PA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 0.1
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example: 0
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'%IPA':
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label: "Percentage of IPA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 0.1
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example: 49.8
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'%TPA':
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label: "Percentage of TPA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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step: 0.1
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example: 19.7
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'%TMA':
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label: "Percentage of TMA"
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comp_type: Slider
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minimum: 0
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maximum: 100
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+
step: 0.1
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example: 0
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'%EG':
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label: "Percentage of EG"
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comp_type: Slider
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minimum: 0
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maximum: 100
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+
step: 0.1
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| 99 |
example: 0
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| 100 |
'%DEG':
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label: "Percentage of DEG"
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| 102 |
comp_type: Slider
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| 103 |
minimum: 0
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| 104 |
maximum: 100
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| 105 |
+
step: 0.1
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+
example: 0
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| 107 |
'%1,3-PROP':
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label: "Percentage of 1.3-PROP"
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| 109 |
comp_type: Slider
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| 110 |
minimum: 0
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| 111 |
maximum: 100
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| 112 |
+
step: 0.1
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| 113 |
example: 0
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| 114 |
'%1,4-BUT':
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label: "Percentage of 1.4-BUT"
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| 116 |
comp_type: Slider
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| 117 |
minimum: 0
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| 118 |
maximum: 100
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| 119 |
+
step: 0.1
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| 120 |
+
example: 0
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| 121 |
'%HDO':
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label: "Percentage of HDO"
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| 123 |
comp_type: Slider
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| 124 |
minimum: 0
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| 125 |
maximum: 100
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| 126 |
+
step: 0.1
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| 127 |
example: 0
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| 128 |
'%NPG':
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| 129 |
label: "Percentage of NPG"
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| 130 |
comp_type: Slider
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| 131 |
minimum: 0
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| 132 |
maximum: 100
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| 133 |
+
step: 0.1
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example: 0
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| 135 |
'%1,4-CHDM':
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| 136 |
label: "Percentage of 1.4-CHDM"
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| 137 |
comp_type: Slider
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minimum: 0
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maximum: 100
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+
step: 0.1
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+
example: 48.4
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'%1,3-CHDM':
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label: "Percentage of 1.3-CHDM"
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comp_type: Slider
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minimum: 0
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| 146 |
maximum: 100
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+
step: 0.1
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| 148 |
example: 0
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| 149 |
'%TMCD':
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label: "Percentage of TMCD"
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| 151 |
comp_type: Slider
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| 152 |
minimum: 0
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maximum: 100
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+
step: 0.1
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+
example: 50.8
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| 156 |
'%TMP':
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label: "Percentage of TMP"
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| 158 |
comp_type: Slider
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comp_type: Slider
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minimum: 0
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maximum: 100
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| 168 |
+
step: 0.1
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+
example: 0.8
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| 170 |
'%TCDDM':
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label: "Percentage of TCDDM"
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| 172 |
comp_type: Slider
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| 173 |
minimum: 0
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| 174 |
maximum: 100
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| 175 |
+
step: 0.1
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| 176 |
example: 0
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| 177 |
'Mw (PS)':
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label: "Weight-average molecular weight (PS)"
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| 179 |
comp_type: Number
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precision: 0
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+
example: 28004
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'AN':
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label: "Acid number"
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comp_type: Number
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+
precision: 2
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+
example: 4.46
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'OHN':
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label: "Hydroxyl number"
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| 189 |
comp_type: Number
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precision: 0
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+
example: 14
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input_order:
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scaler_inputs_path: ""
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| 244 |
scaler_targets_path: ""
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| 245 |
explainer_path: ""
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| 246 |
+
inverse_design: False
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| 247 |
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| 248 |
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| 249 |
webapp:
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