Machine learning for next-generation nanotechnology in healthcare

Lorenc, A.; Mendes, Bárbara B.; Conniot, João; Sousa, Diana P.; Conde, J. P.; Rodrigues, Tiago

doi:10.1016/j.matt.2021.09.014

Cited by 10 publications

(15 citation statements)

References 10 publications

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“…A key challenge for current ML toolkits is to develop robust predictive models with limited (low) data while effectively addressing observational and model uncertainties. 32 Working with real-world data, i.e., either scarce, sparse, 33 unbalanced 34 and/or incomplete 35 remains the ultimate challenge and the most common scenario in ML for chemistry. We envision that low data scenarios offer opportunities for targeted and untargeted serendipity (Fig.…”

Section: Low Data 'Failed' Experiments and Information As Curiosity C...mentioning

confidence: 99%

The rise of automated curiosity-driven discoveries in chemistry

Bustillo,

Laino,

Rodrigues

2023

Chem. Sci.

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Section: Low Data 'Failed' Experiments and Information As Curiosity C...mentioning

confidence: 99%

The rise of automated curiosity-driven discoveries in chemistry

Bustillo,

Laino,

Rodrigues

2023

Chem. Sci.

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“…Additionally, before reaching their target these nucleic acids must resist nuclease degradation in vivo and avoid the reticuloendothelial system and renal clearance 196 repositories is challenging owing to the broad procedures, terms, abbreviations and acronyms of the scientific field 111 . c | Machine learning will allow generation of predictable models for in silico nanoparticle design taking into account physico-chemical properties (size, zeta potential) and their in vitro and in vivo response 47,205 . d | Nanoparticle design is envisioned to focus on precision medicine therapies, instead of one-size-fits-all strategies 44 .…”

Section: Limitations and Optimizationsmentioning

confidence: 99%

“…Not only is their characterization difficult but there is also non-uniformity and often insufficient physico-chemical data in the research reports. The lack of standardization in nanomedicine research reports jeopardizes the comparison of different nanomaterials and the assessment of engineering design approaches, which in turn jeopardizes the comparison with other studies, the fundamental understanding of the bio-nano interface and successful translation to the clinic 205 . Concerning the biodistribution, it is assumed that non-viral nanocarriers accumulate preferentially in certain tissues, based on the perfusion.…”

Section: Limitations and Optimizationsmentioning

confidence: 99%

Nanodelivery of nucleic acids

2022

Nat Rev Methods Primers

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Gene therapy uses nucleic acids as functional molecules to activate biological treatment for a wide range of diseases, such as cancer 1,2 , cystic fibrosis 3 , heart disease 4 , diabetes 5 , haemophilia and HIV/AIDS 6 . Nucleic acids have been attracting increasing attention owing to the global effort in the human genome elucidation together with recent discoveries such as RNA interference (RNAi) and CRISPR-based genome editing [7][8][9] . Gene therapy uses genetic material to alter the expression of a target gene or to modify the biological properties of living cells for therapeutic needs. In recent years, multiple gene therapy products have been approved by the regulatory agencies for various applications 10 . Perhaps the most relevant example is the authorization of mRNA vaccines to fight the COVID-19 outbreak 11 .Gene therapy can be divided into three main avenues, as detailed in Fig. 1. First is editing mutated genes using CRISPR-Cas technology to cause gain or loss of function 12,13 . Second, upregulating gene expression can be achieved through the insertion of a functional gene copy to be expressed by using molecules such as DNA plasmid (pDNA), minicircle DNA (mcDNA), synthetic mRNA, circular RNA and self-amplifying RNA (saRNA) [14][15][16] . Last is downregulating gene expression using molecules such as small interfering RNA (siRNA), antisense oligonucleotides (ASOs), short hairpin RNA (shRNA) and microRNA (miRNA) 17,18 .Nucleic acids have promising advantages compared with conventional drugs 19 . Unlike the latter, the mechanism of action and high specificity of nucleic acids present a possible therapy route for viral infections, various cancers and undruggable genetic disorders with unmet clinical need. Moreover, theoretically, a single treatment of the genetic payload can achieve a durable and even curative effect 20 . However, delivering nucleic acids to reach their active site inside the cell is challenging owing to their low in vivo stability and rapid host clearance outside cells. Additionally, nucleic acids are poorly permeable through the cellular membrane owing to their negative charge, high molecular weight and hydrophilicity 21 . Nonetheless, few delivery challenges differ between DNA and RNA. For example, the payload and carrier toxicity are of greater concern when delivering RNA molecules usually associated with short-term activity and low retention inside the cell, hence requiring more frequent administration 22 . Alternatively, DNA activity inside the nucleus adds complexity related to low nuclear transport, thus leading to distinguishing design concepts regarding the delivery system compared with RNA molecules 23 . Together with specific challenges relevant to the delivered molecule, the fundamental challenge is to develop tailored systems that can facilitate nucleic acid uptake into target cells. The carrier itself needs to overcome extracellular and intracellular barriers, provide protection from nuclease activity in the bloodstream, enhance and assist with cellular uptake, and promote ...

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“…Por outro lado, técnicas de aprendizado de máquina e inteligência artificial são usadas para avaliar conjuntos de dados de nanomateriais para encontrar padrões e correlações entre propriedades físico-químicas e suas aplicações, muitas vezes indetectáveis por outros tipos de análises [34][35][36]. Nesse sentido, abordagens computacionais utilizando ciência intensiva de dados para modelagem e predição de estrutura/propriedade possui enorme potencial para desenvolver o uso e a aplicação da nanotecnologia na área da saúde [37].…”

Section: Ciência Intensiva De Dadosunclassified