Quantitative Structure–Toxicity Relationship in Bioactive Molecules from a Conceptual DFT Perspective

The preclinical drug discovery stage often requires a large amount of costly and time-consuming experiments using huge sets of chemical compounds. In the last few decades, this process has undergone significant improvements by the introduction of quantitative structure-activity relationship (QSAR) m...

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Detalles Bibliográficos
Autores principales: Pal, Ranita, Patra, Shanti Gopal, Chattaraj, Pratim Kumar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9695291/
https://www.ncbi.nlm.nih.gov/pubmed/36355555
http://dx.doi.org/10.3390/ph15111383

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9695291/
https://www.ncbi.nlm.nih.gov/pubmed/36355555
http://dx.doi.org/10.3390/ph15111383

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