| Outline of PoLyInfo |
PoLyInfo provides a wide variety of data required in polymeric material
design. Chemical structures of polymers, various names including IUPAC
based name, properties of each sample with measurement conditions and processing
method and so on are stored in the database.
Monomers and polymerization information related to each polymer are also
included in PoLyInfo.
Several search options are available to retrieve PoLyInfo. In "Polymer
Search", there are "Basic" for easy and convenient search, and "Advanced" for more detailed and skilled retrieval. "Polymer Structure Search" and "Monomer Search" are also available.
In "Easy Browse", users do not have to set search conditions. By clicking terms listed in the table, users can get more detailed information and finally reach the same result as search by polymers.
In addition, "Properties Prediction System", "Nomenclature System" and "NMR Database" have been opened to the public. |
| Structure of the database |
PoLyInfo consists of a database and a property prediction subsystems.
The database system consists of a sample property part and a dictionary
part. |
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The database quality is determined by what level of constitutional unit's
information is correlated with properties.
In the polymer part, all polymer samples in the database are classified
and arranged by chemical structure of constitutional unit (CU).
And then property data, processing method, first order structures and so
on are stored for each polymer sample.
The dictionary part consists of the polymer dictionary, the monomer dictionary,
and the path dictionary. Each dictionary helps users to approach sample
informations.
Polymerization path means typical relations between constitutional units (CUs) and reactants. Meanwhile, polymerization information shows how each polymer sample is actually synthesized from corresponding reactants. |
Provided data
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- Data sources
- Data in PoLyInfo are taken from scientific literatures concerning polymers.
Polymer samples and their property data are selected from literatures when
they satisfied following criteria.
- Polymer samples
- All polymers used as materials.
No sequence data of nucleotides and proteins are treated.
- Properties
- Properties measured by authors themselves and both measuring methods and
conditions are reported in the literature.
Values calculated from measured data are included.
Cited data are not included.
Estimated data of some selected properties are included now, for reference.
PoLyInfo does not include catalogue data of commercial plastics or resins
as they are.
When polymer samples and properties reported in literatures satisfies above
criteria, these data are stored in PoLyInfo even if those samples are commercially
provided ones.
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| Data items |
Data items in PoLyInfo are as follows.
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| Polymer information |
Polymer names
Polymer classification
Chemical formula and weight of constitutional unit (CU)
Chemical structure of constitutional unit (CU)
Polymer type
Average molecular weight
Degree of polymerization
First order structure information
Crystallographic Information
Processing information
Property information |
| Monomer information |
Monomer names
Monomer classification
Molecular formula
Molecular weight |
| Polymerization information |
Polymerization path
Polymerizaiton type
Polymerization style
Polymerization mechanism
Polymerization condition
Materials in polymerization |
Property list
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