OPEN SCIENCE AND ARTIFICIAL INTELLIGENCE SUPPORTING BLUE GROWTH

2020 ◽  
Vol 19 (10) ◽  
pp. 1719-1729
Author(s):  
Gianpaolo Coro
2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Marcelo C. R. Melo ◽  
Jacqueline R. M. A. Maasch ◽  
Cesar de la Fuente-Nunez

AbstractBy targeting invasive organisms, antibiotics insert themselves into the ancient struggle of the host-pathogen evolutionary arms race. As pathogens evolve tactics for evading antibiotics, therapies decline in efficacy and must be replaced, distinguishing antibiotics from most other forms of drug development. Together with a slow and expensive antibiotic development pipeline, the proliferation of drug-resistant pathogens drives urgent interest in computational methods that promise to expedite candidate discovery. Strides in artificial intelligence (AI) have encouraged its application to multiple dimensions of computer-aided drug design, with increasing application to antibiotic discovery. This review describes AI-facilitated advances in the discovery of both small molecule antibiotics and antimicrobial peptides. Beyond the essential prediction of antimicrobial activity, emphasis is also given to antimicrobial compound representation, determination of drug-likeness traits, antimicrobial resistance, and de novo molecular design. Given the urgency of the antimicrobial resistance crisis, we analyze uptake of open science best practices in AI-driven antibiotic discovery and argue for openness and reproducibility as a means of accelerating preclinical research. Finally, trends in the literature and areas for future inquiry are discussed, as artificially intelligent enhancements to drug discovery at large offer many opportunities for future applications in antibiotic development.


Author(s):  
Jonas Grieb ◽  
Claus Weiland ◽  
Alex Hardisty ◽  
Wouter Addink ◽  
Sharif Islam ◽  
...  

International mass digitization efforts through infrastructures like the European Distributed System of Scientific Collections (DiSSCo), the US resource for Digitization of Biodiversity Collections (iDigBio), the National Specimen Information Infrastructure (NSII) of China, and Australia’s digitization of National Research Collections (NRCA Digital) make geo- and biodiversity specimen data freely, fully and directly accessible. Complementary, overarching infrastructure initiatives like the European Open Science Cloud (EOSC) were established to enable mutual integration, interoperability and reusability of multidisciplinary data streams including biodiversity, Earth system and life sciences (De Smedt et al. 2020). Natural Science Collections (NSC) are of particular importance for such multidisciplinary and internationally linked infrastructures, since they provide hard scientific evidence by allowing direct traceability of derived data (e.g., images, sequences, measurements) to physical specimens and material samples in NSC. To open up the large amounts of trait and habitat data and to link these data to digital resources like sequence databases (e.g., ENA), taxonomic infrastructures (e.g., GBIF) or environmental repositories (e.g., PANGAEA), proper annotation of specimen data with rich (meta)data early in the digitization process is required, next to bridging technologies to facilitate the reuse of these data. This was addressed in recent studies (Younis et al. 2018, Younis et al. 2020), where we employed computational image processing and artificial intelligence technologies (Deep Learning) for the classification and extraction of features like organs and morphological traits from digitized collection data (with a focus on herbarium sheets). However, such applications of artificial intelligence are rarely—this applies both for (sub-symbolic) machine learning and (symbolic) ontology-based annotations—integrated in the workflows of NSC’s management systems, which are the essential repositories for the aforementioned integration of data streams. This was the motivation for the development of a Deep Learning-based trait extraction and coherent Digital Specimen (DS) annotation service providing “Machine learning as a Service” (MLaaS) with a special focus on interoperability with the core services of DiSSCo, notably the DS Repository (nsidr.org) and the Specimen Data Refinery (Walton et al. 2020), as well as reusability within the data fabric of EOSC. Taking up the use case to detect and classify regions of interest (ROI) on herbarium scans, we demonstrate a MLaaS prototype for DiSSCo involving the digital object framework, Cordra, for the management of DS as well as instant annotation of digital objects with extracted trait features (and ROIs) based on the DS specification openDS (Islam et al. 2020). Source code available at: https://github.com/jgrieb/plant-detection-service


2020 ◽  
Vol 69 ◽  
pp. 807-845 ◽  
Author(s):  
Joseph Bullock ◽  
Alexandra Luccioni ◽  
Katherine Hoffman Pham ◽  
Cynthia Sin Nga Lam ◽  
Miguel Luengo-Oroz

COVID-19, the disease caused by the SARS-CoV-2 virus, has been declared a pandemic by the World Health Organization, which has reported over 18 million confirmed cases as of August 5, 2020. In this review, we present an overview of recent studies using Machine Learning and, more broadly, Artificial Intelligence, to tackle many aspects of the COVID19 crisis. We have identified applications that address challenges posed by COVID-19 at different scales, including: molecular, by identifying new or existing drugs for treatment; clinical, by supporting diagnosis and evaluating prognosis based on medical imaging and non-invasive measures; and societal, by tracking both the epidemic and the accompanying infodemic using multiple data sources. We also review datasets, tools, and resources needed to facilitate Artificial Intelligence research, and discuss strategic considerations related to the operational implementation of multidisciplinary partnerships and open science. We highlight the need for international cooperation to maximize the potential of AI in this and future pandemics.


2019 ◽  
Vol 28 (01) ◽  
pp. 047-051
Author(s):  
Chris Paton ◽  
Shinji Kobayashi

Objectives: Artificial Intelligence (AI) offers significant potential for improving healthcare. This paper discusses how an “open science” approach to AI tool development, data sharing, education, and research can support the clinical adoption of AI systems. Method: In response to the call for participation for the 2019 International Medical Informatics Association (IMIA) Yearbook theme issue on AI in healthcare, the IMIA Open Source Working Group conducted a rapid review of recent literature relating to open science and AI in healthcare and discussed how an open science approach could help overcome concerns about the adoption of new AI technology in healthcare settings. Results: The recent literature reveals that open science approaches to AI system development are well established. The ecosystem of software development, data sharing, education, and research in the AI community has, in general, adopted an open science ethos that has driven much of the recent innovation and adoption of new AI techniques. However, within the healthcare domain, adoption may be inhibited by the use of “black-box” AI systems, where only the inputs and outputs of those systems are understood, and clinical effectiveness and implementation studies are missing. Conclusions: As AI-based data analysis and clinical decision support systems begin to be implemented in healthcare systems around the world, further openness of clinical effectiveness and mechanisms of action may be required by safety-conscious healthcare policy-makers to ensure they are clinically effective in real world use.


AI Magazine ◽  
2018 ◽  
Vol 39 (3) ◽  
pp. 56-68 ◽  
Author(s):  
Odd Erik Gundersen ◽  
Yolanda Gil ◽  
David W. Aha

Background: Science is experiencing a reproducibility crisis. Artificial intelligence research is not an exception. Objective: To give practical and pragmatic recommendations for how to document AI research so that the results are reproducible. Method: Our analysis of the literature shows that AI publications fall short of providing enough documentation to facilitate reproducibility. Our suggested best practices are based on a framework for reproducibility and recommendations given for other disciplines. Results: We have made an author checklist based on our investigation and provided examples for how every item in the checklist can be documented. Conclusion: We encourage reviewers to use the suggested best practices and author checklist when reviewing submissions for AAAI publications and future AAAI conferences.


2020 ◽  
Author(s):  
Ziqiao Xu ◽  
Orrette Wauchope ◽  
Aaron T. Frank

Here we report the testing and application of a simple, structure-aware framework to design target-specific screening libraries for drug development. Our approach combines advances in generative artificial intelligence (AI) with conventional molecular docking to rapidly explore chemical space conditioned on the unique physiochemical properties of the active site of a biomolecular target. As a proof-of-concept, we used our framework to construct a focused library for cyclin-dependent kinase type-2 (CDK2). We then used it to rapidly generate a library specific to the active site of the main protease (Mpro) of the SARS-CoV-2 virus, which causes COVID-19. By comparing approved and experimental drugs to compounds in our library, we also identified six drugs, namely, Naratriptan, Etryptamine, Panobinostat, Procainamide, Sertraline, and Lidamidine, as possible SARS-CoV-2 Mpro targeting compounds and, as such, potential drug repurposing candidates. To complement the open-science COVID-19 drug discovery initiatives, we make our SARS-CoV-2 Mpro library fully accessible to the research community (https://github.com/atfrank/SARS-CoV-2).


AI Magazine ◽  
2019 ◽  
Vol 40 (3) ◽  
pp. 59-66
Author(s):  
Ioana Baldini ◽  
Clark Barrett ◽  
Antonio Chella ◽  
Carlos Cinelli ◽  
David Gamez ◽  
...  

The AAAI 2019 Spring Series was held Monday through Wednesday, March 25–27, 2019 on the campus of Stanford University, adjacent to Palo Alto, California. The titles of the nine symposia were Artificial Intelligence, Autonomous Machines, and Human Awareness: User Interventions, Intuition and Mutually Constructed Context; Beyond Curve Fitting — Causation, Counterfactuals and Imagination-Based AI; Combining Machine Learning with Knowledge Engineering; Interpretable AI for Well-Being: Understanding Cognitive Bias and Social Embeddedness; Privacy- Enhancing Artificial Intelligence and Language Technologies; Story-Enabled Intelligence; Towards Artificial Intelligence for Collaborative Open Science; Towards Conscious AI Systems; and Verification of Neural Networks.


Author(s):  
David L. Poole ◽  
Alan K. Mackworth

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