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Nanoinformatics: developing new computing applications for nanomedicine

Victor Maojo, Martin Fritts, Fernando Martin-Sanchez, Diana De la Iglesia, Raul E. Cachau, Miguel Garcia-Remesal, Jose Crespo, Joyce A. Mitchell, Alberto Anguita, Nathan Baker, Jose Maria Barreiro, Sonia E. Benitez (+23 others)
2012 Computing  
Nanoinformatics has recently emerged to address the need of computing applications at the nano level.  ...  Although nanoinformatics is in its initial phase of development, the opportunities for computer specialists to contribute expertise and applications in nanomedicine will be great.  ...  Fig. 4 4 Five challenging areas for future nanoinformatics research research, may help develop nanoinformatics and its applications to nanomedicine.  ... 
doi:10.1007/s00607-012-0191-2 pmid:22942787 pmcid:PMC3430140 fatcat:ttef5foh5bgfbom2kllejh62fa

Convergence of Nanoinformatics Nanobiotechnology and Bioinformatics

Stanley Moffatt
2015 MOJ Proteomics & Bioinformatics  
Deploying tools in bioinformatics and computational chemistry to standardize, analyse and store nanobiotechnological information has gained rapid prominence after the discovery and application of DNA genomics  ...  The current and traditional principles of nanobiotechnology, together with bioinformatics and analytical computational chemistry have converged into an exciting biomedical field called nanoinformatics.  ...  For these reasons, the field of nanoinformatics has emerged to develop both the computational tools and skills required to support the empirical analysis of the massive information generated in the field  ... 
doi:10.15406/mojpb.2015.02.00068 fatcat:23nop2sqo5bxxjudi62uiyvyo4

Nanoinformatics and DNA-Based Computing: Catalyzing Nanomedicine

Victor Maojo, Fernando Martin-Sanchez, Casimir Kulikowski, Alfonso Rodriguez-Paton, Martin Fritts
2010 Pediatric Research  
Developments in nanotechnology are opening up the prospects for nanomedicine and regenerative medicine where informatics and DNA computing can become the catalysts enabling health care applications at  ...  Although nanomedicine promises a new exciting frontier for clinical practice and biomedical research, issues involving costeffectiveness studies, clinical trials and toxicity assays, drug delivery methods  ...  In such futuristic academic programs for nanoinformatics/nanomedicine, informatics methods and tools could play a central role for students and professionals by helping understand and manage the new concepts  ... 
doi:10.1203/pdr.0b013e3181d6245e pmid:20118825 fatcat:wcrx72ih5nd3bfabxpgujd6ade

Enhancing Clinical Translation of Cancer Using Nanoinformatics

Madjid Soltani, Farshad Moradi Kashkooli, Mohammad Souri, Samaneh Zare Harofte, Tina Harati, Atefeh Khadem, Mohammad Haeri Pour, Kaamran Raahemifar
2021 Cancers  
Application of AI in nanotechnology leads to a new field of study, i.e., nanoinformatics.  ...  The main objectives of this review are to discuss the current developments, possibilities, and future visions in naoinformatics, for providing more effective treatment for cancer patients.  ...  Informed Consent Statement: Not applicable. Data Availability Statement: The study did not report any data. Conflicts of Interest: The authors declare no conflict of interest.  ... 
doi:10.3390/cancers13102481 pmid:34069606 fatcat:fpzacbn75jbctm4yeyrj5cargy

Nanoinformatics for biomedicine: emerging approaches and applications

Xiong Liu, Thomas Webster
2013 International Journal of Nanomedicine  
This special issue on nanoinformatics for biomedicine is a collection of recent papers from the 2012 IEEE Workshop on Nanoinformatics for Biomedicine (NanoInfo 2012) and other work in the area.  ...  These papers illustrate different aspects of nanoinformatics to support biomedical research and to advance knowledge on nanomaterial-biological interactions.  ...  Acknowledgments The author gratefully acknowledges Dr Kaizhi Tang and Dr Jeffery A Steevens, co-chairs of NanoInfo 2012, for their assistance with the special issue.  ... 
doi:10.2147/ijn.s41253 pmid:24101873 pmcid:PMC3790274 fatcat:rltkf4kzjzfu5hyklbigqrohoa

Nanoinformatics: a new area of research in nanomedicine

Victor Maojo, Fritts, Diana de la Iglesia, Cachau, Garcia-Remesal, Mitchell, Kulikowski
2012 International Journal of Nanomedicine  
We suggest that nanoinformatics could accelerate research and development in nanomedicine, as has occurred in the past in other fields.  ...  for various types of nanomaterials, and research on new modeling and simulation techniques for nanoparticles.  ...  Research Resources/National Center for Advancing Translational Sciences (Public Health Services research grants UL1-RR025764 and UL1RR025764-02S2).  ... 
doi:10.2147/ijn.s24582 pmid:22866003 pmcid:PMC3410693 fatcat:5im7a34ogbffpcwpg6ycoylor4

Nanoinformatics: new challenges for biomedical informatics at the nano level

Diana De La Iglesia, Stefano Chiesa, Josipa Kern, Victor Maojo, Fernando Martin-Sanchez, George Potamias, Vassilis Moustakis, Joyce A Mitchell
2009 Studies in Health Technology and Informatics  
Within medicine, Nanomedicine promises to deliver new methods for diagnosis, prognosis and therapy.  ...  Nanoinformatics aims to create a bridge between Nanomedicine and Information Technology applying computational methods to manage the information created in the nanomedical domain.  ...  A new scientific discipline, Nanoinformatics, is currently being developed in parallel to address the informatics needs of Nanomedicine.  ... 
pmid:19745461 fatcat:bplpv5cferdizgtl4to5yur2e4

Nanoinformatics: Emerging Databases and Available Tools

Suresh Panneerselvam, Sangdun Choi
2014 International Journal of Molecular Sciences  
Several major challenges in nanotechnology indicate a need for nanoinformatics.  ...  Although the use of engineered nanoparticles is rapidly increasing, safety assessment is also important for the beneficial use of new nanomaterials.  ...  The growth and development of bioinformatics can provide valuable lessons for applying the same practice to benefit nanoinformatics development [27] .  ... 
doi:10.3390/ijms15057158 pmid:24776761 pmcid:PMC4057665 fatcat:e64y4xt6uzchfo4c6zx3btirj4

Nanoinformatics knowledge infrastructures: bringing efficient information management to nanomedical research

D de la Iglesia, R E Cachau, M García-Remesal, V Maojo
2013 Computational Science & Discovery  
Due to their special properties, nanoparticles are suitable for cellular-level diagnostics and therapy, offering numerous applications in medicine, e.g. development of biomedical devices, tissue repair  ...  In nanomedicine, recent studies are producing large amounts of structural and property data, highlighting the role for computational approaches in information management.  ...  In biomedicine, several application development projects have emerged for constructing and managing computational pipelines from existing bioinformatics databases and tools.  ... 
doi:10.1088/1749-4699/6/1/014011 pmid:24932210 pmcid:PMC4053539 fatcat:3gu2c3gju5fixguxnrjtkobnbi

Eu Us Roadmap Nanoinformatics 2030 [article]

Haase, Klaessig
2018 Zenodo  
This roadmap has been jointly developed in trustful cooperation among scientists of the European Union, the United States of America and a few other countries.  ...  different scientific backgrounds, working in the field of nanotechnology, have cooperated with the main objective to provide as broad an overview as possible about the young and rapidly evolving field of "nanoinformatics  ...  Advances in nanoinformatics will be essential for extracting useful information from 'data lakes' for use development and application of sustainable nanotechnology.  ... 
doi:10.5281/zenodo.1486012 fatcat:yll2tsodjbgmlmyoyjfkcptxja

Nanoinformatics: an emerging area of information technology at the intersection of bioinformatics, computational chemistry and nanobiotechnology

Fernando González-Nilo, Tomás Pérez-Acle, Sergio Guínez-Molinos, Daniela A Geraldo, Claudia Sandoval, Alejandro Yévenes, Leonardo S Santos, V. Felipe Laurie, Hegaly Mendoza, Raúl E Cachau
2011 Biological Research  
Thus, old and new bioinformatic and computational chemistry tools have been merged into a new sub-discipline: nanoinformatics.  ...  In this work, we will review some applications of nanobiotechnology to life sciences in generating new requirements for diverse scientifi c fi elds, such as bioinformatics and computational chemistry.  ...  For these reasons, nanoinformatics emerged to satisfy the need to develop computational tools able to support the analysis of information generated each day in nanomedicine (García-Remesal et al., 2007  ... 
doi:10.4067/s0716-97602011000100006 pmid:21720680 fatcat:6mhwrrfgt5bl5lpknpw6wd5zve

Using Nanoinformatics Methods for Automatically Identifying Relevant Nanotoxicology Entities from the Literature

Miguel García-Remesal, Alejandro García-Ruiz, David Pérez-Rey, Diana de la Iglesia, Víctor Maojo
2013 BioMed Research International  
and their potential applications in health care.  ...  For this, we have taken a computational approach to automatically recognize and extract nanotoxicology-related entities from the scientific literature.  ...  Cachau for their useful suggestions and comments.  ... 
doi:10.1155/2013/410294 pmid:23509721 pmcid:PMC3591181 fatcat:2wiewurvpvbqjmwwrr7nplijey

A nanoinformatics decision support tool for the virtual screening of gold nanoparticle cellular association using protein corona fingerprints

Antreas Afantitis, Georgia Melagraki, Andreas Tsoumanis, Eugenia Valsami-Jones, Iseult Lynch
2018 Nanotoxicology  
Acknowledgements This project has received funding from the European Union's Seventh Framework Programme for research, technological development and demonstration under grant agreement no 310451 (Project  ...  A critical mass of scientific effort is currently directed towards NPs research and technology development targeting new improved structures for all possible uses.  ...  Figure 1 . 1 Nanoinformatics workflow for the development of NP cellular association predictive model. Figure 4 . 4 Screen Shot of Enalos Cloud Platform results.  ... 
doi:10.1080/17435390.2018.1504998 pmid:30182778 fatcat:ck2x63zqi5d2pii2iczndtvqsq

A safe-by-design tool for functionalised nanomaterials through the Enalos Nanoinformatics Cloud platform

Dimitra-Danai Varsou, Antreas Afantitis, Andreas Tsoumanis, Georgia Melagraki, Haralambos Sarimveis, Eugenia Valsami-Jones, Iseult Lynch
2019 Nanoscale Advances  
A validated nanoinformatics model for accurate prediction of the biological and toxicological profile of ligand-decorated multi-walled carbon nanotubes is released online for safe-by-design decision making  ...  Acknowledgements This work was funded by the European Commission's H2020 Marie-Sklodowska-Curie-Action via the NANOGENTOOLS RISE project which aims to support the development of new methodologies for the  ...  Fig. 4 4 Enalos Nanoinformatics Cloud platform user-friendly interface.  ... 
doi:10.1039/c8na00142a fatcat:3oix5et32zfv7gehriih3ovcaq

Zeta‐Potential Read‐Across Model Utilizing Nanodescriptors Extracted via the NanoXtract Image Analysis Tool Available on the Enalos Nanoinformatics Cloud Platform

Dimitra‐Danai Varsou, Antreas Afantitis, Andreas Tsoumanis, Anastasios Papadiamantis, Eugenia Valsami‐Jones, Iseult Lynch, Georgia Melagraki
2020 Small  
NM TEM images are used to develop a model for prediction of zeta potential based on grouping of the NMs according to their nearest neighbors.  ...  Both the NanoXtract image analysis tool and the validated model for zeta potential ( are freely available online through the Enalos Nanoinformatics  ...  Keywords image nanodescriptors, nanoinformatics, read-across, zeta potential Received: November 13, 2019 Revised: February 7, 2020 Published online:  ... 
doi:10.1002/smll.201906588 pmid:32174008 fatcat:xsa47fx4pzhnvhdck5prun63nu
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