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Jiang Z, Xu R, Dong C. Identification of Chemical Toxicity Using Ontology Information of Chemicals. Comput Math Methods Med. 2015;2015:246374doi: 10.1155/2015/246374.
Jiang, Z., Xu, R., & Dong, C. (2015). Identification of Chemical Toxicity Using Ontology Information of Chemicals. Computational and mathematical methods in medicine, 2015246374. https://doi.org/10.1155/2015/246374
Jiang, Zhanpeng, et al. "Identification of Chemical Toxicity Using Ontology Information of Chemicals." Computational and mathematical methods in medicine vol. 2015 (2015): 246374. doi: https://doi.org/10.1155/2015/246374
Jiang Z, Xu R, Dong C. Identification of Chemical Toxicity Using Ontology Information of Chemicals. Comput Math Methods Med. 2015;2015:246374. doi: 10.1155/2015/246374. Epub 2015 Oct 05. PMID: 26508991; PMCID: PMC4609800.
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Comput Math Methods Med. 2015;2015:246374. doi: 10.1155/2015/246374. Epub 2015 Oct 05.

Identification of Chemical Toxicity Using Ontology Information of Chemicals.

Computational and mathematical methods in medicine

Zhanpeng Jiang, Rui Xu, Changchun Dong

Affiliations

  1. School of Software, Harbin University of Science and Technology, Harbin 150080, China.

PMID: 26508991 PMCID: PMC4609800 DOI: 10.1155/2015/246374

Abstract

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.

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