Machine Learning Predictions

Machine Learning Predictions:

ML Prediction

Donor:

Acceptor:

Alkyl:

Ionicgroup:

Counterion:

HOMO:

LUMO:

GAP:

Reorganization of
Energy of Electron:

Reorganization
Energy of Hole:

Cohesive Energy:

Input Fields

Available Donors : ['CPDT', 'PDT', 'P']
Available Acceptors : ['ClPT', 'BrBT', 'PhCl', 'PhBr', 'BTCN', 'Tp', 'Py', 'BBT', 'PhF', 'BT', 'FBT', 'Ph', 'PT', 'PhCN', "FPT', 'BrPT', 'CIBT']
Available Alkylchains : [ C2, C3, C4, C5, C6, C7, C8, C9, C10, C11]
Available Ionicgroups : ['COO', 'PO3H', 'SO3', 'NMe', 'Pyr']
Available Counterions : ['Li', 'Na', 'K', 'Cs', 'F', 'CI', 'Br', 'I']