Machine learning (ML) methods have become powerful, predictive tools in a wide range of applications, such as facial recognition and autonomous vehicles. In the sciences, computational chemists and ...physicists have been using ML for the prediction of physical phenomena, such as atomistic potential energy surfaces and reaction pathways. Transferable ML potentials, such as ANI-1x, have been developed with the goal of accurately simulating organic molecules containing the chemical elements H, C, N, and O. Here, we provide an extension of the ANI-1x model. The new model, dubbed ANI-2x, is trained to three additional chemical elements: S, F, and Cl. Additionally, ANI-2x underwent torsional refinement training to better predict molecular torsion profiles. These new features open a wide range of new applications within organic chemistry and drug development. These seven elements (H, C, N, O, F, Cl, and S) make up ∼90% of drug-like molecules. To show that these additions do not sacrifice accuracy, we have tested this model across a range of organic molecules and applications, including the COMP6 benchmark, dihedral rotations, conformer scoring, and nonbonded interactions. ANI-2x is shown to accurately predict molecular energies compared to density functional theory with a ∼106 factor speedup and a negligible slowdown compared to ANI-1x and shows subchemical accuracy across most of the COMP6 benchmark. The resulting model is a valuable tool for drug development which can potentially replace both quantum calculations and classical force fields for a myriad of applications.
This is a theoretical paper using the Web of Science search engine and Bibexcel analysis functions to determine key literature related to ‘project success’. The paper firstly provides background to ...the development of project success since the 1970s. Then, an inductive thematic analysis investigates which factors stakeholders, involved in projects, perceived as key to project success.
It provides a better understanding of project success and identifies perceptions by senior management, project core team and project recipient stakeholder groups. The main issue highlighted by the research was that, for some groups, there were no common success factors. This suggests a lack of agreement in perceptions of project success factors between these three groups, highlighting discontinuity between them and provides a case for empirical research into multiple stakeholder groups' perceptions of project success. The approach selected employed a combination of a systematic integrative literature review, coding framework and thematic analysis.
•A theoretical paper investigating project success factors and stakeholders.•Uses a systematic literature review, coding framework and thematic analysis.•Identifies discontinuity of perceptions between different stakeholder groups.•Provides a case for empirical research into perceptions of project success.
Organizations use projects to manage customized, one-off events across a wide range of functions. Project management is an essential operational tool and process that is utilized to effectively and ...efficiently manage resources, tasks and activities, and associated timelines. The purpose of this paper is to investigate the possibility that failure is a result of different interpretations of the criteria and factors used for success by multiple stakeholder groups. Currently, there is no recorded theory to determine project success within the project management literature, which includes both the perspective of multiple stakeholder groups and shared use of success dimensions for a given project. This omission is the basis of the current work, which explores the impact of using all stakeholder views as opposed to a selected few to define project success. The research outcomes are important for informed managerial decision making that enables the minimization of major financial losses.
•An empirical paper investigating project success and stakeholders.•Identifies a measurement method for stakeholder groups' perceptions of project success.•Provides areas for survey analysis: benefit to the stakeholder group, time/cost/quality and accountability.
Background Families of young children with disabilities are faced with ongoing challenges that impact various aspects of family life. Given the increasing emphasis on promoting positive outcomes in ...these families, the overall aim of the current study was to examine the contribution of child, family, and support characteristics to the quality of life in families of young children with disabilities.
Method The sample was recruited from several early childhood intervention programs within metropolitan Melbourne, Australia, and consisted of 64 families of children aged between 3 and 5 years with a developmental delay or disability.
Results As a whole, parental perceptions and experiences of family-centred professional support was one of the strongest predictors of family quality of life. The perceived intensity of child behavioural problems as well as support from extended family members also accounted for a significant proportion of unique variance in predicting quality of family life.
Conclusion The current findings provide further evidence for the importance of a family-focused approach to intervention that acknowledges and provides support that is tailored to the unique needs of each individual family. The practical implications of these results as well as directions for future research are discussed.
Many animals produce alarm signals when they detect a potential predator, but we still know little about the information contained in these signals. Using presentations of 15 species of live ...predators, we show that acoustic features of the mobbing calls of black-capped chickadees (Poecile atricapilla) vary with the size of the predator. Companion playback experiments revealed that chickadees detect this information and that the intensity of mobbing behavior is related to the size and threat of the potential predator. This study demonstrates an unsuspected level of complexity and sophistication in avian alarm calls.
Designing for student-facing learning analytics Kitto, Kirsty; Lupton, Mandy; Davis, Kate ...
Australasian Journal of Educational Technology,
01/2017, Letnik:
33, Številka:
5
Journal Article
Recenzirano
Odprti dostop
Despite a narrative that sees learning analytics (LA) as a field that aims to enhance student learning, few student-facing solutions have emerged. This can make it difficult for educators to imagine ...how data can be used in the classroom, and in turn diminishes the promise of LA as an enabler for encouraging important skills such as sense-making, metacognition, and reflection. We propose two learning design patterns that will help educators to incorporate LA into their teaching protocols: do-analyse-change-reflect, and active learning squared. We discuss these patterns with reference to a case study utilising the Connected Learning Analytics (CLA) toolkit, in three trials run over a period of 18 months. The results demonstrate that student-facing learning analytics is not just a future possibility, but an area that is ripe for further development. Author abstract
A new method to measure and identify project success dimensions meriting further investigation is detailed. It considers the conceptualization, diagnosis and understanding of these dimensions to ...judge the success or failure of a project. The method used an inductive thematic analysis to reveal two major themes: one related to the multiple stakeholders involved in a project and the other to project structure. Further analysis showed three new success dimensions linked directly to the perception of project success: benefit to the stakeholder group, client/customer specific issues and time/cost/quality. Inclusion of these dimensions to measure project success has the potential to allow all stakeholder groups to share the same perception of project success.
•A theoretical paper investigating project success and stakeholders•Identifies a measurement method for stakeholder groups' perceptions of project success•Provides areas for analysis: benefit to the stakeholder group, client/customer specific issues and time/cost/quality.
Abstract
There is accumulating evidence for a link between circadian clock disruption and cancer progression. In this study, the circadian clock was investigated in cervical and esophageal cancers, ...to determine whether it is disrupted in these cancer types. Oncomine datamining revealed downregulation of multiple members of the circadian clock gene family in cancer patient tissue compared with matched normal epithelium. Real-time RT-PCR analysis confirmed significant downregulation of CLOCK, PER1, PER2, PER3, CRY1, CRY2, REV-ERBα, and RORα in esophageal tumor tissue. In cell line models, expression of several circadian clock genes was significantly decreased in transformed and cancer cells compared with noncancer controls, and protein levels were dysregulated. These effects were mediated, at least in part, by methylation, where CLOCK, CRY1, and RORα gene promoter regions were found to be methylated in cancer cells. Overexpression of CLOCK and PER2 in cancer cell lines inhibited cell proliferation and activation of RORα and REV-ERBα using agonists resulted in cancer cell death, while having a lesser effect on normal epithelial cells. Despite dysregulated circadian clock gene expression, cervical and esophageal cancer cells maintain functional circadian oscillations after Dexamethasone synchronization, as revealed using real-time bioluminescence imaging, suggesting that their circadian clock mechanisms are intact.
Implications:
This study is a first to describe dysregulated, yet oscillating, circadian clock gene expression in cervical and esophageal cancer cells, and knowledge of circadian clock functioning in these cancer types has the potential to inform chronotherapy approaches, where the timing of administration of chemotherapy is optimized on the basis of the circadian clock.
This paper organizes and synthesizes different extant research streams through a systematic literature review to identify connections and major assumptions on the influence of stakeholders in major ...Public Infrastructure and Construction projects (PIC), at the local community level. Findings suggest that research on stakeholder management has focused strongly on those stakeholders able to control project resources, whilst the effect on the legitimate ‘secondary stakeholders’, such as the local community, remains widely unexplored. Due to the unavoidable impact of major PIC on both people and places, it is suggested that seeking local community opinions in the initiation phase of the project and monitoring the megaproject impact at the local level can help to improve project performance. The output provides scholars and practitioners with future research directions and practical implications for an inclusive stakeholder management approach in construction megaprojects.
•Explores stakeholders in Public Infrastructure and Construction projects.•A systematic literature review examining local community perceptions of ‘megaprojects’.•To improve decision making to minimize environmental and social impact.
This research project explored students' perspective of the appropriate mix of online and face-to-face activities in a master's programme in library and information science at an Australian ...university. Identifying aspects that students evaluate as supportive, challenging and efficient in their learning is important for the design of an appropriate mix in blended learning courses. Twenty-three master's students responded to a questionnaire containing 40 open-ended and closed questions. Applying both statistical and content analysis provides a deeper understanding of students' responses. Students like the flexibility and the convenience of online learning, but also the possibilities that derive from face-to-face interaction with teachers and peers for building personal learning networks. Students expect equal quality from all forms of learning delivery and were critical of the quality of online participation and lecture recordings. Blended learning is an approach that supports a range of learning styles and life styles.
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