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Jaqpot Quattro: A Novel Computational Web Platform for Modeling and Analysis in Nanoinformatics.

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Title: Jaqpot Quattro: A Novel Computational Web Platform for Modeling and Analysis in Nanoinformatics.
Authors: Chomenidis, Charalampos1, Drakakis, Georgios1, Tsiliki, Georgia1, Anagnostopoulou, Evangelia1, Valsamis, Angelos1, Doganis, Philip1, Sopasakis, Pantelis2, Sarimveis, Haralambos1 hsarimv@central.ntua.gr
Source: Journal of Chemical Information & Modeling. Sep2017, Vol. 57 Issue 9, p2161-2172. 12p.
Subjects: Nanostructured materials, Engineering -- Computer network resources, Web-based user interfaces, Animal experimentation, Ontology, Prevention
Abstract: Engineered nanomaterials (ENMs) are increasingly infiltrating our lives as a result of their applications across multiple fields. However, ENM formulations may result in the modulation of pathways and mechanisms of toxic action that endanger human health and the environment. Alternative testing methods such as in silico approaches are becoming increasingly popular for assessing the safety of ENMs, as they are cost- and time-effective. Additionally, computational approaches support the industrial safer-by-design challenge and the REACH legislation objective of reducing animal testing. Because of the novelty of the field, there is also an evident need for harmonization in terms of databases, ontology, and modeling infrastructures. To this end, we present Jaqpot Quattro, a comprehensive open-source web application for ENM modeling with emphasis on predicting adverse effects of ENMs. We describe the system architecture and outline the functionalities, which include nanoQSAR modeling, validation services, read-across predictions, optimal experimental design, and interlaboratory testing. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Chemical Information & Modeling is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
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PubType: Academic Journal
PubTypeId: academicJournal
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  Data: Jaqpot Quattro: A Novel Computational Web Platform for Modeling and Analysis in Nanoinformatics.
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Chemical+Information+%26+Modeling%22">Journal of Chemical Information & Modeling</searchLink>. Sep2017, Vol. 57 Issue 9, p2161-2172. 12p.
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  Data: <searchLink fieldCode="DE" term="%22Nanostructured+materials%22">Nanostructured materials</searchLink><br /><searchLink fieldCode="DE" term="%22Engineering+--+Computer+network+resources%22">Engineering -- Computer network resources</searchLink><br /><searchLink fieldCode="DE" term="%22Web-based+user+interfaces%22">Web-based user interfaces</searchLink><br /><searchLink fieldCode="DE" term="%22Animal+experimentation%22">Animal experimentation</searchLink><br /><searchLink fieldCode="DE" term="%22Ontology%22">Ontology</searchLink><br /><searchLink fieldCode="DE" term="%22Prevention%22">Prevention</searchLink>
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  Data: Engineered nanomaterials (ENMs) are increasingly infiltrating our lives as a result of their applications across multiple fields. However, ENM formulations may result in the modulation of pathways and mechanisms of toxic action that endanger human health and the environment. Alternative testing methods such as in silico approaches are becoming increasingly popular for assessing the safety of ENMs, as they are cost- and time-effective. Additionally, computational approaches support the industrial safer-by-design challenge and the REACH legislation objective of reducing animal testing. Because of the novelty of the field, there is also an evident need for harmonization in terms of databases, ontology, and modeling infrastructures. To this end, we present Jaqpot Quattro, a comprehensive open-source web application for ENM modeling with emphasis on predicting adverse effects of ENMs. We describe the system architecture and outline the functionalities, which include nanoQSAR modeling, validation services, read-across predictions, optimal experimental design, and interlaboratory testing. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of Journal of Chemical Information & Modeling is the property of American Chemical Society and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=126028882
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        Value: 10.1021/acs.jcim.7b00223
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      – SubjectFull: Engineering -- Computer network resources
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      – SubjectFull: Prevention
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              Text: Sep2017
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