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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...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2021
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| Materias: | |
| 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 |