Identification of Chemical Toxicity Using Ontology Information of Chemicals.
With the advance of the combinatorial chemistry, a large number of synthetic compounds have surged. However, we have limited knowledge about them. On the other hand, the speed of designing new drugs is very slow. One of the key causes is the unacceptable toxicities of chemicals. If one can correctly identify the toxicity of chemicals, the unsuitable chemicals can be discarded in early stage, thereby accelerating the study of new drugs and reducing the R&D costs. In this study, a new prediction method was built for identification of chemical toxicities, which was based on ontology information of chemicals. By comparing to a previous method, our method is quite effective. We hope that the proposed method may give new insights to study chemical toxicity and other attributes of chemicals.
School of Software, Harbin University of Science and Technology, Harbin 150080, China.
Zhanpeng
Z
Jiang
School of Software, Harbin University of Science and Technology, Harbin 150080, China.
Rui
R
Xu
School of Software, Harbin University of Science and Technology, Harbin 150080, China.
Changchun
C
Dong
D020650:Combinatorial Chemistry Techniques; D019295:Computational Biology; D062126:Databases, Chemical / Q000706:statistics & numerical data; D015195:Drug Design; D055808:Drug Discovery; D064420:Drug-Related Side Effects and Adverse Reactions; D006801:Humans; D051188:Knowledge Bases