LABORATORY INFORMATICS GUIDE 2022
Open wearables initiative highlights standards in open-source algorithms
algorithms for digital medicine, has announced a new program designed to identify and support open-source algorithms that are being adopted rapidly and may become de facto industry standards. This OWEAR program uses the number and quality of references to ‘crowdsource’ the identification of potential de facto standards. Once a potential standard is identified, OWEAR will create and maintain a searchable catalogue that displays key information about the studies in which the algorithm has been employed, including the therapeutic area, population(s) studied, and the number of participants. Geoffrey Gill, OWEAR co-founder
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and president of Shimmer Americas, said: ‘Establishing industry standards is critical in gaining widespread
he Open Wearables Initiative (OWEAR), which promotes and facilitates the use of open-source
acceptance of digital medicine technologies. Regulatory agencies and healthcare professionals cannot be expected to evaluate myriad algorithms that measure essentially the same phenomenon. Meeting OWEAR’s reference-count criterion indicates that the authors trusted the algorithm enough to use it and that the software is in good enough shape to be used by others.’ OWEAR plans to create a new
catalogue for each open-source algorithm used in a wearable sensor or other connected health technology that generates more than 25 published papers and meets other quality metrics. OWEAR searchable catalogues will provide a snapshot of, and links to, the published wearables research using open-source algorithms in multiple therapeutic areas. The reference-count criterion indicates the algorithm has garnered significant industry adoption. Shimmer Research has agreed to donate
the staff time to create and maintain these OWEAR catalogues. GGIR, a popular package for
transforming wrist-worn acceleration data into activity and sleep metrics, is the first open-source package recognised under this program. The OWEAR catalogue displaying all the published papers for GGIR is now available at
www.owear.org. It features more than 300 references, including 114 that were published in the past year alone. ‘OWEAR is always looking for new
ways to facilitate the use of open-source algorithms. Identifying and evaluating whether an open-source package is appropriate for a specific application can be extremely time-consuming. This program streamlines that process by identifying packages that have been used extensively and allows the user to display relevant references in seconds,’ Gill said.
Optibrium adds a 3D ligand-based design module to its chemistry software
compounds faster due to a collaboration with BioPharmics and the integration of its eSim and ForceGen software. This development is a result of the
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recently announced collaboration between BioPharmics and Optibrium. BioPharmics has developed tools for comparisons of electrostatic fields with molecular surface-shapes and directional hydrogen-bonding preferences (eSim) and conformational search (ForceGen) which are being made directly available to Optibrium’s global user base. This gives computational and experimental chemists the opportunity to make use of expert 3D design tools. Dr Peter Hunt, director of computational chemistry at Optibrium, said: ‘The launch of StarDrop 7.1 further demonstrates our ongoing commitment to providing best-in-class technologies across a comprehensive range of in silico modelling and compound design
www.scientific-computing.com
he latest version of Optibrium’s StarDrop software helps scientists target high-quality
capabilities. It is a privilege to work with BioPharmics, one of the industry leaders in the 3D computational drug discovery solution space. We are proud to provide the unsurpassed accuracy and performance of BioPharmics’ cutting- edge ligand-based design methods to our StarDrop user community.’ Available as an optional module,
Surflex eSim3D seamlessly integrates with StarDrop’s compound optimisation and data analysis capabilities, helping to target high-quality compounds with an optimal balance of activities and key absorption, distribution, metabolism, excretion and toxicity (ADMET) properties quickly and confidently, leading to better compounds faster. Dr Ajay Jain, founder and CEO of BioPharmics, stated: ‘The BioPharmics team is excited to see our expert- focused computational tools become available to a broadened user group in StarDrop’s highly intuitive user interface. Our technology has repeatedly demonstrated its transformational
impact on our customers’ discovery efforts, and widening access allows us to scale the value we bring to our customers.’ StarDrop is used by more than 160
organisations worldwide, including many of the top global pharmaceutical companies. The release of StarDrop 7.1 further expands the platform’s 3D ligand- based design capabilities, providing access to high-performance methods for virtual screening and intuitive compound design in discovery projects where little or no structural information on targets is available. Dr Ann Cleves, director of applied
science at BioPharmics, added: ‘We are delighted by the release of the eSim technology integrated within the StarDrop platform. We believe that medicinal chemists will find the interface to be elegant and user-friendly, making the process of molecular design using state-of- the-art 3D computations a naturally interactive experience.’
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