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...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2016
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| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/72233/1/FaisalSaeed2016_BioactiveMoleculePredictionUsingExtreme.pdf http://eprints.utm.my/id/eprint/72233/ https://www.scopus.com/inward/record.uri?eid=2-s2.0-84980378875&doi=10.3390%2fmolecules21080983&partnerID=40&md5=dc9ff9162ad2918c4e08660854dc0a15 |
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| Institution: | Universiti Teknologi Malaysia |
| Language: | English |