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Nonpher: computational method for design of hard-to-synthesize structures
In cheminformatics, machine learning methods are typically used to classify chemical compounds into distinctive classes such as active/nonactive or toxic/nontoxic. To train a classifier, a training data set must consist of examples from both positive and negative classes. While a biological activity...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5359269/ https://www.ncbi.nlm.nih.gov/pubmed/29086122 http://dx.doi.org/10.1186/s13321-017-0206-2 |