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ACEnano coordinated by University of Birmingham is developing a nano safety decision expert system (ACEnano Toolbox), which can be used for reliable safety evaluation of nanomaterials. http://www.acenano-project.eu/
Hanyang University is located in Seoul, South Korea, has approximately 35,000 students (undergraduate 25,000 and graduate 10,000) and 3,700 faculty members and 1,000 staff; it is in the list of the world’s top 200 universities, with its chemistry department in the list of top 101-150 rank (QS WU Rankings by subject). Hanyang University began as the nation's first private College of Engineering, producing numerous specialists who have worked as the backbone of the nation's industrialization and modernization.
NanoSolveIT coordinated by NovaMechanics Ltd. aspires to introduce a ground-breaking in silico Integrated Approach to Testing and Assessment (IATA) for the environmental health and safety of Nanomaterials (NM), implemented through a decision support system packaged as both a stand-alone open software and via a Cloud platform. https://www.hanyang.ac.kr/web/eng
TO21 located in Seoul, South Korea, is a company to serve for registration of chemical substances, global regulatory affairs, risk assessment of chemical substances, chemical safety management services and chemical management services. TO21 Co. Ltd. is chemical management expert group, since 1999, more than 40 consulting experts in toxicity, environmental, public health, chemistry, regulation, legislation, etc. and has high quality in chemical DB such as MoE, National Chemical Information System(NCIS), MoE, GHS Classification System for Toxic Chemicals, MoE, Chemical Information Transfer Program within Supply Chain, MoE, Nano Safety InformationSystem, Industry, Chemical Management System, etc. http://eng.to21.co.kr
Kangwon National University (KNU) was established in 1947 in Chuncheon, Gangwon-do, South Korea. Kangwon National University serves as the flagship educational institution of Gangwon-do. http://www.kangwon.ac.kr/english/
Edelweiss Connect acts both as the initiator of independent research projects (eg. in Discovery Informatics, Knowledge Management, Life Sciences, Drug Safety, Environmental Chemistry, Risk Assessment) and as a provider of integrated services for corporate clients in these areas. https://www.edelweissconnect.com/
University of Birmingham is a public research university located in Edgbaston, Birmingham, United Kingdom. The university was ranked 14th in the UK and 79th in the world in the QS World University Rankings for 2019. Characterised by a tradition of innovation, research at the University has broken new ground, pushed forward the boundaries of knowledge and made an impact on people’s lives. https://www.birmingham.ac.uk/
Yoon Idea Lab conducts research to characterize physicochemical properties of nanoparticle and investigate the effects of nanomaterials on the human and the environment. The goal of Yoon Idea Lab's research is systematic understanding of nanoparticle interactions with biological and environmental systems, based on the fundamental principles of physics, chemistry, and biology. 
Korea Research Institute of Standards and Science (KRISS) is the national measurement standards laboratory for the Republic of Korea. It is a government-funded institute responsible for providing national measurement standards and advancing measurement technologies.  https://www.kriss.re.kr/eng/main/main.html
Korea Institute of Science and Technology (KIST) Europe is a research institute with Korean roots, founded in 1996 in Saarbrücken.KIST Europe has contributed to the Globalization of Korean Science and Technology through Joint R&D Activities in Europe, established a Platform for Promoting S&T Cooperation between Korea and Europe and provided a Platform for Technological Collaboration and Networking among Korean Industries. https://www.kist-europe.de/portal/main/main.do
Korea Institute of Toxicology (KIT) is a government-funded research institute to evaluate the safety of medicine, bio- related products and chemicals such as agricultural pesticides, food additives, cosmetics, and nanoparticles. https://www.kitox.re.kr/kitox_eng/main.php

Partner’s Tools


Sometimes endpoints related to nano phenomena are mathematical function of "traditional" molecules. In such case, the nano-QSPR/QSAR are factually "traditional" QSPR/QSAR.
Quasi- SMILES and nano QSAR/nanoQSPR
Sometimes endpoints related to nano phenomena (particles, nanomaterials, peptides) are not a mathematical function of solely "traditional" molecules, i.e. physicochemical, biochemical, and other special "nano" conditions should be taken into account. This can be done via quasi- SMILES. The quasi-SMILES is "traditional" SMILES extended by special codes which reflect the above conditions.
Index of Ideality of Correlation (IIC)
Index of ideality of correlation (IIC) is a new criterion of the predictive potential for QSPR/QSAR as well as for nano-QSPR/QSAR. It is to be noted the improve statistical quality of a model for calibration set to the detriment of the training set.

Istituto di Ricerche Farmacologiche Mario Negri IRCCS, via La Masa 19, 20156, Milan, Italy.

andrey.toropov@marionegri.it / alla.toropova@marionegri.it

42(5): 606-613