Chemical data of Lactic acid
up vote
6
down vote
favorite
I'm using the next Mathematica command in order to plot molecules:
ChemicalData["name", "MoleculePlot"]
But I'm not sure if the Mathematica database of molecules is complete.
I'm trying to plot lactic acid.
The problem is that it doesn't seem to exist a name of the molecule that makes the command work
ChemicalData["Lactic acid", "MoleculePlot"]
or
ChemicalData["2-Hydroxypropanoic acid", "MoleculePlot"]
So, I want to know if anyone has any suggestions about what to do in these cases.
plotting curated-data chemistry data-acquisition
add a comment |
up vote
6
down vote
favorite
I'm using the next Mathematica command in order to plot molecules:
ChemicalData["name", "MoleculePlot"]
But I'm not sure if the Mathematica database of molecules is complete.
I'm trying to plot lactic acid.
The problem is that it doesn't seem to exist a name of the molecule that makes the command work
ChemicalData["Lactic acid", "MoleculePlot"]
or
ChemicalData["2-Hydroxypropanoic acid", "MoleculePlot"]
So, I want to know if anyone has any suggestions about what to do in these cases.
plotting curated-data chemistry data-acquisition
add a comment |
up vote
6
down vote
favorite
up vote
6
down vote
favorite
I'm using the next Mathematica command in order to plot molecules:
ChemicalData["name", "MoleculePlot"]
But I'm not sure if the Mathematica database of molecules is complete.
I'm trying to plot lactic acid.
The problem is that it doesn't seem to exist a name of the molecule that makes the command work
ChemicalData["Lactic acid", "MoleculePlot"]
or
ChemicalData["2-Hydroxypropanoic acid", "MoleculePlot"]
So, I want to know if anyone has any suggestions about what to do in these cases.
plotting curated-data chemistry data-acquisition
I'm using the next Mathematica command in order to plot molecules:
ChemicalData["name", "MoleculePlot"]
But I'm not sure if the Mathematica database of molecules is complete.
I'm trying to plot lactic acid.
The problem is that it doesn't seem to exist a name of the molecule that makes the command work
ChemicalData["Lactic acid", "MoleculePlot"]
or
ChemicalData["2-Hydroxypropanoic acid", "MoleculePlot"]
So, I want to know if anyone has any suggestions about what to do in these cases.
plotting curated-data chemistry data-acquisition
plotting curated-data chemistry data-acquisition
edited 18 hours ago
David G. Stork
22.8k22051
22.8k22051
asked 18 hours ago
Delfin
504
504
add a comment |
add a comment |
2 Answers
2
active
oldest
votes
up vote
11
down vote
I've struggled with How Mathematica expects the end-user to interact with knowledge databases for quite some time. While this solution is likely not universal, it has been reasonably successful for many of my searches.
Using CTRL= to perform a free-form Wolfram Language input followed by using CanonicalName
typically provides the appropriate string to conduct additional property searches:
Jason B. notes in the comments that one can obtain the same information programmatically through Interpreter["Chemical"]["lactic acid"]
. I've included it in the answer in case the comments get removed in the future.
3
For a programmatic way to get the entity, you can useInterpreter["Chemical"]["lactic acid"]
.
– Jason B.
13 hours ago
2
Thankfully, one is not forced to refer to citric acid asLemonAcid
.
– David Richerby
7 hours ago
@DavidRicherby Seriously!
– bobthechemist
7 hours ago
Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
– Andreas Rejbrand
6 hours ago
add a comment |
up vote
4
down vote
ChemicalData[!(*
TagBox[
StyleBox[
RowBox[{"Entity", "[",
RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],
ShowSpecialCharacters->False,
ShowStringCharacters->True,
NumberMarks->True],
FullForm]), "MoleculePlot"]
or
Entity["Chemical", "MilkAcid"];
ChemicalData[%,"MolecularPlot"]
add a comment |
2 Answers
2
active
oldest
votes
2 Answers
2
active
oldest
votes
active
oldest
votes
active
oldest
votes
up vote
11
down vote
I've struggled with How Mathematica expects the end-user to interact with knowledge databases for quite some time. While this solution is likely not universal, it has been reasonably successful for many of my searches.
Using CTRL= to perform a free-form Wolfram Language input followed by using CanonicalName
typically provides the appropriate string to conduct additional property searches:
Jason B. notes in the comments that one can obtain the same information programmatically through Interpreter["Chemical"]["lactic acid"]
. I've included it in the answer in case the comments get removed in the future.
3
For a programmatic way to get the entity, you can useInterpreter["Chemical"]["lactic acid"]
.
– Jason B.
13 hours ago
2
Thankfully, one is not forced to refer to citric acid asLemonAcid
.
– David Richerby
7 hours ago
@DavidRicherby Seriously!
– bobthechemist
7 hours ago
Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
– Andreas Rejbrand
6 hours ago
add a comment |
up vote
11
down vote
I've struggled with How Mathematica expects the end-user to interact with knowledge databases for quite some time. While this solution is likely not universal, it has been reasonably successful for many of my searches.
Using CTRL= to perform a free-form Wolfram Language input followed by using CanonicalName
typically provides the appropriate string to conduct additional property searches:
Jason B. notes in the comments that one can obtain the same information programmatically through Interpreter["Chemical"]["lactic acid"]
. I've included it in the answer in case the comments get removed in the future.
3
For a programmatic way to get the entity, you can useInterpreter["Chemical"]["lactic acid"]
.
– Jason B.
13 hours ago
2
Thankfully, one is not forced to refer to citric acid asLemonAcid
.
– David Richerby
7 hours ago
@DavidRicherby Seriously!
– bobthechemist
7 hours ago
Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
– Andreas Rejbrand
6 hours ago
add a comment |
up vote
11
down vote
up vote
11
down vote
I've struggled with How Mathematica expects the end-user to interact with knowledge databases for quite some time. While this solution is likely not universal, it has been reasonably successful for many of my searches.
Using CTRL= to perform a free-form Wolfram Language input followed by using CanonicalName
typically provides the appropriate string to conduct additional property searches:
Jason B. notes in the comments that one can obtain the same information programmatically through Interpreter["Chemical"]["lactic acid"]
. I've included it in the answer in case the comments get removed in the future.
I've struggled with How Mathematica expects the end-user to interact with knowledge databases for quite some time. While this solution is likely not universal, it has been reasonably successful for many of my searches.
Using CTRL= to perform a free-form Wolfram Language input followed by using CanonicalName
typically provides the appropriate string to conduct additional property searches:
Jason B. notes in the comments that one can obtain the same information programmatically through Interpreter["Chemical"]["lactic acid"]
. I've included it in the answer in case the comments get removed in the future.
edited 8 hours ago
answered 16 hours ago
bobthechemist
14.4k442112
14.4k442112
3
For a programmatic way to get the entity, you can useInterpreter["Chemical"]["lactic acid"]
.
– Jason B.
13 hours ago
2
Thankfully, one is not forced to refer to citric acid asLemonAcid
.
– David Richerby
7 hours ago
@DavidRicherby Seriously!
– bobthechemist
7 hours ago
Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
– Andreas Rejbrand
6 hours ago
add a comment |
3
For a programmatic way to get the entity, you can useInterpreter["Chemical"]["lactic acid"]
.
– Jason B.
13 hours ago
2
Thankfully, one is not forced to refer to citric acid asLemonAcid
.
– David Richerby
7 hours ago
@DavidRicherby Seriously!
– bobthechemist
7 hours ago
Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
– Andreas Rejbrand
6 hours ago
3
3
For a programmatic way to get the entity, you can use
Interpreter["Chemical"]["lactic acid"]
.– Jason B.
13 hours ago
For a programmatic way to get the entity, you can use
Interpreter["Chemical"]["lactic acid"]
.– Jason B.
13 hours ago
2
2
Thankfully, one is not forced to refer to citric acid as
LemonAcid
.– David Richerby
7 hours ago
Thankfully, one is not forced to refer to citric acid as
LemonAcid
.– David Richerby
7 hours ago
@DavidRicherby Seriously!
– bobthechemist
7 hours ago
@DavidRicherby Seriously!
– bobthechemist
7 hours ago
Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
– Andreas Rejbrand
6 hours ago
Actually, in Swedish, lactic acid is called mjölksyra (milk acid).
– Andreas Rejbrand
6 hours ago
add a comment |
up vote
4
down vote
ChemicalData[!(*
TagBox[
StyleBox[
RowBox[{"Entity", "[",
RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],
ShowSpecialCharacters->False,
ShowStringCharacters->True,
NumberMarks->True],
FullForm]), "MoleculePlot"]
or
Entity["Chemical", "MilkAcid"];
ChemicalData[%,"MolecularPlot"]
add a comment |
up vote
4
down vote
ChemicalData[!(*
TagBox[
StyleBox[
RowBox[{"Entity", "[",
RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],
ShowSpecialCharacters->False,
ShowStringCharacters->True,
NumberMarks->True],
FullForm]), "MoleculePlot"]
or
Entity["Chemical", "MilkAcid"];
ChemicalData[%,"MolecularPlot"]
add a comment |
up vote
4
down vote
up vote
4
down vote
ChemicalData[!(*
TagBox[
StyleBox[
RowBox[{"Entity", "[",
RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],
ShowSpecialCharacters->False,
ShowStringCharacters->True,
NumberMarks->True],
FullForm]), "MoleculePlot"]
or
Entity["Chemical", "MilkAcid"];
ChemicalData[%,"MolecularPlot"]
ChemicalData[!(*
TagBox[
StyleBox[
RowBox[{"Entity", "[",
RowBox[{""<Chemical>"", ",", ""<MilkAcid>""}], "]"}],
ShowSpecialCharacters->False,
ShowStringCharacters->True,
NumberMarks->True],
FullForm]), "MoleculePlot"]
or
Entity["Chemical", "MilkAcid"];
ChemicalData[%,"MolecularPlot"]
edited 18 hours ago
answered 18 hours ago
David G. Stork
22.8k22051
22.8k22051
add a comment |
add a comment |
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