Relating molecular descriptors to frontier orbital energy levels, singlet and triplet excited states of fused tricyclics using machine learning.

Woon, Kai Lin; Chong, Zhao Xian; Ariffin, Azhar; Chan, Chee Seng

Woon, Kai Lin; Chong, Zhao Xian; Ariffin, Azhar; Chan, Chee Seng.

Afiliación

Woon KL; Low Dimensional Material Research Centre, Department of Physics, University Malaya, Kuala Lumpur, Malaysia. Electronic address: ph7klw76@um.edu.my.
Chong ZX; Low Dimensional Material Research Centre, Department of Physics, University Malaya, Kuala Lumpur, Malaysia.
Ariffin A; Department of Chemistry, Faculty of Science, University Malaya, Kuala Lumpur, Malaysia.
Chan CS; Center of Image and Signal Processing, Faculty of Computer Science and Information Technology, University of Malaya, 50603, Kuala Lumpur, Malaysia.

J Mol Graph Model ; 105: 107891, 2021 06.

Article en En | MEDLINE | ID: mdl-33765526

Asunto(s)

Aprendizaje Automático; Compuestos Orgánicos; Algoritmos

Palabras clave

Data analytics; Machine learning; Tricyclics; Triplet

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Compuestos Orgánicos / Aprendizaje Automático Idioma: En Revista: J Mol Graph Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2021 Tipo del documento: Article

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