Journal of Environmental Health Sciences (한국환경보건학회지)

Korean Society of Environmental Health (한국환경보건학회)
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Review of Domestic and Foreign Technology Trends for the Development of Exploring Alternative Candidate Algorithms

대체후보물질 탐색 알고리즘 개발을 위한 국내·외 기술동향 조사 연구

  • Jiwon Choi (Chemical Safety Research Center, Korea Research Institute of Chemical Technology) ;
  • Jongseo Park (Chemical Safety Research Center, Korea Research Institute of Chemical Technology) ;
  • Myungwon Seo (Chemical Safety Research Center, Korea Research Institute of Chemical Technology) ;
  • Young-Min Lee (Chemical Safety Research Center, Korea Research Institute of Chemical Technology) ;
  • Sunmi Kim (Chemical Safety Research Center, Korea Research Institute of Chemical Technology)
  • 최지원 (한국화학연구원 화학안전연구센터) ;
  • 박종서 (한국화학연구원 화학안전연구센터) ;
  • 서명원 (한국화학연구원 화학안전연구센터) ;
  • 이영민 (한국화학연구원 화학안전연구센터) ;
  • 김선미 (한국화학연구원 화학안전연구센터)
  • Received : 2023.01.20
  • Accepted : 2023.02.21
  • Published : 2023.02.28
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Abstract

Background: The need to develop alternative chemicals is increasing worldwide due to the strengthening of global chemical regulations and consumer safety awareness in the marketplace. Objectives: We aimed to review domestic and foreign technology trends for exploring alternative candidate algorithms that can be used to develop safer alternatives to strengthen global market competitiveness and protect public health in the future. Methods: We searched the current status of research trends, companies related to the development of alternative chemicals in domestic and foreign countries. For this, we referred to research papers and websites by companies and institutes related to such alternatives. Results: Among the domestic and foreign research trends, more studies in South Korea were focused on predicting molecular-based physicochemical properties and toxicity than were reporting on research exploring alternative candidates. Three web-based databases and six tools were being developed. More studies in other countries predicted information to consider in alternative development than reported on research exploring alternative candidates, and four web-based databases and three tools were being developed. Among the companies related to the development of alternative chemicals, 286 alternatives classified as 'EVALUATED ALTERNATIVE' in MARKETPLACE accounted for the most significant proportion in Europe on a continent basis, and the largest number in the United States (US) on a national basis. In South Korea, only significant companies were registered. Conclusions: In this study, it was found to be necessary to provide public technology support platforms to explore alternative candidates considering various aspects in order to support alternative development. In conclusion, exploring alternative candidate algorithms could contribute to the response to the global trends in the chemical industry and to supporting companies and researchers developing safer alternatives in the future.

Keywords

Acknowledgement

본 결과물은 과학기술정보통신부의 재원으로 한국화학연구원의 화학소재 빅데이터 플랫폼 구축(KK2351-10)과 화학물질·제품 안전설계 플랫폼 기술구축(KK2352-10) 과제의 일환으로 수행되었으며, 이에 감사드립니다.

References

  1. European Union (EU). Regulation (EC) No 1907/2006 - Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). Available: https://ec.europa.eu/environment/chemicals/reach/legislation_en.htm [accessed 14 2022 December]. 
  2. European Chemicals Agency (ECHA). SVHC Roadmap 2020 - Achievements and Extended Aims. Helsinki: European Chemicals Agency; 2021. 
  3. Oberg T. Substitution of chemicals based on assessment of hazard, risk and impact. J Risk Res. 2014; 17(5): 565-568.  https://doi.org/10.1080/13669877.2013.841737
  4. Korean Law Information Center, Ministry of Environment. Notification No. 18034, Act on Registration and Evaluation of Chemicals (K-REACH). Available: https://www.law.go.kr/LSW/lsInfoP.do?lsiSeq=231425&chrClsCd=010203&urlMode=engLsInfoR&viewCls=engLsInfoR#0000 [accessed 14 December 2022]. 
  5. Korean Law Information Center, Ministry of Environment. Notification No. 2022-79, The Act on the Registration and Evaluation of Chemicals (K-REACH). Available: https://www.law.go.kr/admRulLsInfoP.do?chrClsCd=&admRulSeq=2100000210738#AJAX [accessed 14 December 2022]. 
  6. Korean Law Information Center, Ministry of Environment. Notification No. 2022-248, The Act on the Registration and Evaluation of Chemicals (K-REACH). Available: https://www.law.go.kr/LSW/admRulLsInfoP.do?chrClsCd=&admRulSeq=2100000216796 [accessed 14 December 2022]. 
  7. Korean Law Information Center, Ministry of Environment. Notification No. 2022-218, Consumer Chemical Products and Biocides Safety Act (K-BPR). Available: https://www.law.go.kr/LSW/admRulLsInfoP.do?chrClsCd=&admRulSeq=2100000215815 [accessed 14 December 2022]. 
  8. Hanwha. Hanwha Chemical Produces Next-generation Eco-friendly Plasticizers. Available: https://www.hanwha.com/en/news_and_media/press_release/hanwha-chemical-produces-next-generation-eco-friendly-plasticizers.html [accessed 16 December 2022]. 
  9. Korea Institute of S&T Evaluation and Planning (KISTEP). Science and Technology Foresight towards 2040 in Korea. Available: https://www.kistep.re.kr/board.es?mid=a10305080000&bid=0002&act=view&list_no=34238&tag=&nPage=101 [accessed 14 December 2022]. 
  10. European Commission. A European Green Deal. Available: https://commission.europa.eu/strategy-and-policy/priorities-2019-2024/european-green-deal_en [accessed 14 December 2022]. 
  11. Korea Research Institute of Chemical Technology (KRICT). Development of Platform Technology for Industrial Support based on Public-Infra. 2020. 
  12. The International Chemical Secretariat. Available: https://chemsec.org/ [accessed 14 December 2022]. 
  13. Organisation for Economic Co-operation and Development. Substitution and Alternatives Assessment Tools and Data Sources. Available: https://www.oecd.org/chemicalsafety/risk-management/substitution-alternatives-assessment-tools-data-sources.htm [accessed 14 December 2022]. 
  14. The International Chemical Secretariat. Marketplace. Available: https://marketplace.chemsec.org [accessed 14 December 2022]. 
  15. Kim D, Lee S, Kim M, Lee E, Yoo CK. Development of QSAR model based on the key molecular descriptors selection and computational toxicology for prediction of toxicity of PCBs. Korean Chem Eng Res. 2016; 54(5): 621-629.  https://doi.org/10.9713/kcer.2016.54.5.621
  16. Jeon Y, Lee KH, Lee H. Deep-learning prediction based molecular structure virtual screening. Korean Chem Eng Res. 2020; 58(2): 230-234. 
  17. Kim J. A method of predicting drug toxicity based on physical / chemical structure information. J Korean Inst Intell Syst. 2019; 29(5): 385-389.  https://doi.org/10.5391/JKIIS.2019.29.5.385
  18. Lee S, Yoo S. In silico approach for predicting neurotoxicity. Proc Korean Inst Inf Commun Sci Conf. 2022; 26(1): 270-272. 
  19. Jeong M, Yoo SY. Predicting fetal toxicity of drugs through attention algorithm. Proc Korean Inst Inf Commun Sci Conf. 2022; 26(1): 273-275. 
  20. Amitrano A, Mahajan JS, Korley LSTJ, Epps TH. Estrogenic activity of lignin-derivable alternatives to bisphenol A assessed via molecular docking simulations. RSC Adv. 2021; 11(36): 22149-22158.  https://doi.org/10.1039/D1RA02170B
  21. Chen Q, Wang X, Tan H, Shi W, Zhang X, Wei S, et al. Molecular initiating events of bisphenols on androgen receptor-mediated pathways provide guidelines for in silico screening and design of substitute compounds. Environ Sci Technol Lett. 2019; 6(4): 205-210.  https://doi.org/10.1021/acs.estlett.9b00073
  22. Zhu X, Ho CH, Wang X. Application of life cycle assessment and machine learning for high-throughput screening of green chemical substitutes. ACS Sustain Chem Eng. 2020; 8(30): 11141-11151.  https://doi.org/10.1021/acssuschemeng.0c02211
  23. Wyrzykowska E, Rybinska-Fryca A, Sosnowska A, Puzyn T. Virtual screening in the design of ionic liquids as environmentally safe bactericides. Green Chem. 2019; 21(8): 1965-1973.  https://doi.org/10.1039/C8GC03400A
  24. Lubbecke P, Mehdiyev N, Fettke P. Substitution of hazardous chemical substances using Deep Learning and t-SNE. Wirtschafts-informatik. 2019;1418-1432. 
  25. Korean Law Information Center, Ministry of Environment. Notification No. 32061, Enforcement Decree of the Act on the Registration and Evaluation of Chemicals (K-REACH). Available: https://www.law.go.kr/법령/화학물질의등록및평가등에관한법률시행령 [accessed 14 December 2022].