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Toxicity Classification of Oxide Nanomaterials: Effects of Data Gap Filling and PChem Score-based Screening Approaches
Posted by TO21 2018.03.07


Toxicity Classification of Oxide Nanomaterials: Effects of Data Gap Filling and PChem Score-based Screening Approaches


My Kieu Ha1, Tung Xuan Trinh1, Jang Sik Choi2, Desy Maulina1, Hyung Gi Byun2 and Tae Hyun Yoon1*

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

*Corresponding author: taeyoon@hanyang.ac.kr


DOI : 10.1038/s41598-018-21431-9


PChem scoring framework can

    - Evaluate and screen the quality of the PChem data

    - Provide flexibility in choosing suitable data for nano-SAR model development


Data gap filling and data quality screening are useful in

    - Reducing missing values

    - Increasing data quality