An Inverse QSAR Method Based on a Two-Layered Model and Integer Programming

A novel framework for inverse quantitative structure–activity relationships (inverse QSAR) has recently been proposed and developed using both artificial neural networks and mixed integer linear programming. However, classes of chemical graphs treated by the framework are limited. In order to deal w...

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Detalles Bibliográficos
Autores principales: Shi, Yu, Zhu, Jianshen, Azam, Naveed Ahmed, Haraguchi, Kazuya, Zhao, Liang, Nagamochi, Hiroshi, Akutsu, Tatsuya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8002091/
https://www.ncbi.nlm.nih.gov/pubmed/33799613
http://dx.doi.org/10.3390/ijms22062847

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8002091/
https://www.ncbi.nlm.nih.gov/pubmed/33799613
http://dx.doi.org/10.3390/ijms22062847

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