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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...
Autores principales: | Kunimoto, Ryo, Miyao, Tomoyuki, Bajorath, Jürgen |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2018
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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 |
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