Bioactive molecule prediction using extreme gradient boosting
Following the explosive growth in chemical and biological data, the shift from traditional methods of drug discovery to computer-aided means has made data mining and machine learning methods integral parts of today's drug discovery process. In this paper, extreme gradient boosting (Xgboost), wh...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG,
2016.
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| Subjects: | |
| Online Access: | Get fulltext |