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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| Format: | Article |
| Language: | English |
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MDPI AG
2019-05-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | https://www.mdpi.com/1422-0067/20/9/2175 |