Quasi-SMILES-Based Nano-Quantitative Structure？Activity Relationship Model to Predict the Cytotoxicity of Multiwalled Carbon Nanotubes to Human Lung Cells

Xuan-Tung Trinh¹, Jang-Sik Choi², Hyunpyo Jeon³, Hyung-Gi Byun², Tae-Hyun Yoon^1* and Jongwoon Kim^3*

¹Department of Chemistry, College of Natural Sciences, Hanyang University, Seoul 04763, Republic of Korea.

²Division of Electronics, Information and Communication Engineering, Kangwon National University (Samcheok), Kangwon-do 24341, Republic of Korea.

³Environmental Safety Group, Korea Institute of Science and Technology (KIST) Europe, Campus E 7.1, Saarbruecken 66123, Germany.

^*Corresponding Author: E-mail: thyoon@gmail.com¹; jwkim@kist-europe.de³

DOI : 10.1021/acs.chemrestox.7b00303