163 research outputs found

    Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data

    Get PDF
    The past decade has seen a number of impressive developmentsinpredictive chemistry and reaction informatics driven by machine learningapplications to computer-aided synthesis planning. While many of thesedevelopments have been made even with relatively small, bespoke datasets, in order to advance the role of AI in the field at scale, theremust be significant improvements in the reporting of reaction data.Currently, the majority of publicly available data is reported inan unstructured format and heavily imbalanced toward high-yieldingreactions, which influences the types of models that can be successfullytrained. In this Perspective, we analyze several data curation andsharing initiatives that have seen success in chemistry and molecularbiology. We discuss several factors that have contributed to theirsuccess and how we can take lessons from these case studies and applythem to reaction data. Finally, we spotlight the Open Reaction Databaseand summarize key actions the community can take toward making reactiondata more findable, accessible, interoperable, and reusable (FAIR),including the use of mandates from funding agencies and publishers

    Structure-Activity Relationships of Influenza a M2 Inhibitors

    Get PDF

    Established Tables and Emergent Huddles: Exploring the Processes of Participation Associated With the Policy Changes to Opioid Pharmacotherapy Treatment in Australia in the Context of COVID-19

    Full text link
    In this paper we document and analyze emergent participatory processes in drug policy, focusing on the relations between established modes of engagement and emergent participatory formats. We do this through analysis of a case example, attending to policy changes to opioid pharmacotherapy treatment in the context of COVID-19 in Australia. Semistructured interviews (n = 22) were undertaken between August 2020 and March 2021 with people closely involved in the recent policy changes and discussions surrounding opioid pharmacotherapy treatment in Australia. The analysis of the interview accounts followed work which has forged relational, co-productionist and materialist understandings of participation. Two figures of participation were encountered in the interview accounts: the tables of participation and the huddles of participation. The tables seemingly represented a standardized set of bureaucratic mechanisms for the inclusion of the “voices” of people who use drugs. The huddles emerged as a responsive and less coherent set of ad hoc participatory collectives in the context of rapid policy changes during COVID-19. Instead of viewing emergence as distinct from existing participatory formats, emergence was conceptualized ecologically in this article—that is in relation to established forms of participation. As the institutionally mandated tables served the basis for the emergent huddles of participation in this case study, it demonstrates that even the most foreclosed participatory structures can adapt and be responsive to evolving situations of need, perhaps also in ordinary times and not just in emergency conditions

    Navigating the grey: Experiences of incremental cannabis reform in Australia

    Full text link
    Introduction and Aims: There have been many changes to cannabis laws across the globe, some dramatic but more often incremental. This study explored the experiences after an incremental cannabis law reform in the Australian Capital Territory, Australia. Method: Semi-structured interviews (n = 30) were conducted in March and April 2021, 14 months after the introduction of cannabis law reform, with people aged 18 and over who had grown and/or consumed cannabis in the previous 12 months. Participants were asked about recent and past cannabis use, growing cannabis and changes to their practices after the introduction of the legislation. Results: Incremental cannabis law change resulted in regulatory grey areas. How people interpreted and navigated such grey areas were connected to their relative privileges, circumstances and histories. Those who were highly policed were more likely to experience the grey areas negatively. Those who were not highly policed found the grey areas confusing or ‘half-arse’ (insufficiently executed), but mostly experienced the new laws positively through new cannabis cultivation or perceived reduction in stigma and fear of arrest. Those with self-identified privilege were unconcerned with grey areas of the legislation. Discussion and Conclusion: Incremental policy change can result in grey areas that require some navigation. Vulnerable populations appear less likely to experience the full benefits of such incremental drug law reform. It is vital to attend to the inequities that can arise from incremental law reform so that positive experiences are shared across the population regardless of relative privilege

    Why solar radiation management geoengineering and democracy won’t mix

    Get PDF
    In this paper we argue that recent policy treatments of solar radiation management (SRM) have insufficiently addressed its potential implications for contemporary political systems. Exploring the emerging ‘social constitution’ of SRM, we outline four reasons why this is likely to pose immense challenges to liberal democratic politics: That the unequal distribution of and uncertainties about SRM impacts will cause conflicts within existing institutions; that SRM will act at the planetary level and necessitate autocratic governance; that the motivations for SRM will always be plural and unstable; and that SRM will become conditioned by economic forces
    • …
    corecore