Automated approaches for classifying structures
作者： Mukund Deshpande , Michihiro Kuramochi , George Karypis
DOI: 10.21236/ADA439498
关键词: Support vector machine 、 Classifier (UML) 、 Domain knowledge 、 Computer science 、 Machine learning 、 Artificial intelligence
摘要: In this paper we study the problem of classifying chemical compound datasets. We present an algorithm that first mines dataset to discover discriminating sub-structures; these sub-structures are used as features build a powerful classifier. The advantage our classification technique is it requires very little domain knowledge and can easily handle large evaluated performance classifier on two widely available datasets have found give good results.
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