MatSol-PVA

  Usage
 1. Paste data in textarea with CSV or TSV.
 2. Select algorithm of prediction model.
 3. Click 'Submit' button.

Please input items data in the following order with CSV or TSV:
1. DTA_thermalpeak (thermal decomposition peak point)
2. HeatDegStart (thermal decomposition starting point)
3. HeatDegEnd (thermal decomposition completing point)
4. Viscosity4 (4% viscosity)
5. Tg (glass transition point)
6. Crystallinity (degree of crystallinity)
7. CloudP (cloud point)
8. SaponificationDeg (Saponification degree)
9. RigidityScore (*Rigidity Score from NMR anisotropy data)
10. Peak-gentle (*No of gentle peak in NMR isotropy data)

*No.1-7 are observed data, 8 is structural-related traits, 9 & 10 are NMR-related data.
*RigidityScore can be calculated from http://dmar.riken.jp/matrigica/ with NMR anisotropy data.
*Peak-gentle can be calculated from http://dmar.riken.jp/nmrspecinfo / with NMR isotropy data.
*'insoluble' or 'NA' or 'None' in Viscosity4 & CloudP is calculated as min value.
  'impossible' or 'indecomposable' or 'NA' or 'None' in Tg is calculated as max value.
  'impossible' or 'indecomposable' or 'NA' or 'None' in Crystallinity is calculated as min value.
*Please refer to sample data to click 'Sample' bottom.

- Model data accuracy -
Random forest: R2:0.859, RMSE:0.816
XGBoost: R2:0.862, RMSE:1.155