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Exploring the Potential of Spherical Harmonics and PCVM for Compounds Activity Prediction
Biologically active chemical compounds may provide remedies for several diseases. Meanwhile, Machine Learning techniques applied to Drug Discovery, which are cheaper and faster than wet-lab experiments, have the capability to more effectively identify molecules with the expected pharmacological acti...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6539940/ https://www.ncbi.nlm.nih.gov/pubmed/31052500 http://dx.doi.org/10.3390/ijms20092175 |