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Computational method for estimating progression saturation of analog series

In lead optimization, it is difficult to estimate when an analog series might be saturated and synthesis of additional compounds would be unlikely to yield further progress. Rather than terminating a series, one often continues to generate analogs hoping to reach the final optimization goal, even if...

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Detalles Bibliográficos
Autores principales: Kunimoto, Ryo, Miyao, Tomoyuki, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078142/
https://www.ncbi.nlm.nih.gov/pubmed/35542404
http://dx.doi.org/10.1039/c7ra13748f