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...

詳細記述

保存先:
書誌詳細
主要な著者: Hamza, Hentabli, Salim, Naomie, Saeed, Faisal
フォーマット: 論文
言語:English
出版事項: Penerbit UTM Press 2016
主題:
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
タグ: タグ追加
タグなし, このレコードへの初めてのタグを付けませんか!
その他の書誌記述
要約: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.