A novel method for inference of acyclic chemical compounds with bounded branch-height based on artificial neural networks and integer programming

Analysis of chemical graphs is becoming a major research topic in computational molecular biology due to its potential applications to drug design. One of the major approaches in such a study is inverse quantitative structure activity/property relationship (inverse QSAR/QSPR) analysis, which is to i...

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Detalles Bibliográficos
Autores principales: Azam, Naveed Ahmed, Zhu, Jianshen, Sun, Yanming, Shi, Yu, Shurbevski, Aleksandar, Zhao, Liang, Nagamochi, Hiroshi, Akutsu, Tatsuya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2021
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8364129/
https://www.ncbi.nlm.nih.gov/pubmed/34391471
http://dx.doi.org/10.1186/s13015-021-00197-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8364129/
https://www.ncbi.nlm.nih.gov/pubmed/34391471
http://dx.doi.org/10.1186/s13015-021-00197-2

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