An activity prediction model using shape-based descriptor method
Similarity searching, the activity of an unknown compound (target) is predicted through the comparison of an unknown compound with a set of known activities of compounds. The known activities of the most similar compounds are assigned to the unknown compound. Different machine learning methods and M...
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| フォーマット: | 論文 |
| 言語: | English |
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Penerbit UTM Press
2016
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| オンライン･アクセス: | http://eprints.utm.my/id/eprint/71283/1/HentabliHamza2016_Anactivitypredictionmodelusing.pdf http://eprints.utm.my/id/eprint/71283/ https://www.scopus.com/inward/record.uri?eid=2-s2.0-84976518253&doi=10.11113%2fjt.v78.9245&partnerID=40&md5=e69504b98ed73418a720d5cc04702c7c |
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my.utm.712832017-11-16T09:53:15Z http://eprints.utm.my/id/eprint/71283/ An activity prediction model using shape-based descriptor method Hamza, Hentabli Salim, Naomie Saeed, Faisal QA75 Electronic computers. Computer science Similarity searching, the activity of an unknown compound (target) is predicted through the comparison of an unknown compound with a set of known activities of compounds. The known activities of the most similar compounds are assigned to the unknown compound. Different machine learning methods and Multilevel Neighborhoods of Atoms (MNA) structure descriptors have been applied for the activities prediction. In this paper, we introduced a new activity prediction model with Shape-Based Descriptor Method (SBDM). Experimental results show that SBDM-MNA provides a useful method of using the prior knowledge of target class information (active and inactive compounds) of predicting the activity of orphan compounds. To validate our method, we have applied the SBDM-MNA to different established data sets from literature and compare its performance with the classical MNA descriptor for activity prediction. Penerbit UTM Press 2016 Article PeerReviewed application/pdf en http://eprints.utm.my/id/eprint/71283/1/HentabliHamza2016_Anactivitypredictionmodelusing.pdf Hamza, Hentabli and Salim, Naomie and Saeed, Faisal (2016) An activity prediction model using shape-based descriptor method. Jurnal Teknologi, 78 (6-12). pp. 135-142. ISSN 0127-9696 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84976518253&doi=10.11113%2fjt.v78.9245&partnerID=40&md5=e69504b98ed73418a720d5cc04702c7c |
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Malaysia |
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Universiti Teknologi Malaysia |
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| language |
English |
| topic |
QA75 Electronic computers. Computer science |
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QA75 Electronic computers. Computer science Hamza, Hentabli Salim, Naomie Saeed, Faisal An activity prediction model using shape-based descriptor method |
| description |
Similarity searching, the activity of an unknown compound (target) is predicted through the comparison of an unknown compound with a set of known activities of compounds. The known activities of the most similar compounds are assigned to the unknown compound. Different machine learning methods and Multilevel Neighborhoods of Atoms (MNA) structure descriptors have been applied for the activities prediction. In this paper, we introduced a new activity prediction model with Shape-Based Descriptor Method (SBDM). Experimental results show that SBDM-MNA provides a useful method of using the prior knowledge of target class information (active and inactive compounds) of predicting the activity of orphan compounds. To validate our method, we have applied the SBDM-MNA to different established data sets from literature and compare its performance with the classical MNA descriptor for activity prediction. |
| format |
Article |
| author |
Hamza, Hentabli Salim, Naomie Saeed, Faisal |
| author_facet |
Hamza, Hentabli Salim, Naomie Saeed, Faisal |
| author_sort |
Hamza, Hentabli |
| title |
An activity prediction model using shape-based descriptor method |
| title_short |
An activity prediction model using shape-based descriptor method |
| title_full |
An activity prediction model using shape-based descriptor method |
| title_fullStr |
An activity prediction model using shape-based descriptor method |
| title_full_unstemmed |
An activity prediction model using shape-based descriptor method |
| title_sort |
activity prediction model using shape-based descriptor method |
| publisher |
Penerbit UTM Press |
| publishDate |
2016 |
| url |
http://eprints.utm.my/id/eprint/71283/1/HentabliHamza2016_Anactivitypredictionmodelusing.pdf http://eprints.utm.my/id/eprint/71283/ https://www.scopus.com/inward/record.uri?eid=2-s2.0-84976518253&doi=10.11113%2fjt.v78.9245&partnerID=40&md5=e69504b98ed73418a720d5cc04702c7c |
| _version_ |
1643656158850842624 |
| score |
13.251813 |