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LABORATORY INFORMATICS


help dramatically reduce overuse of the drug and even prevent overdose-related deaths.’ ‘We signed a partnership with Vidal, key player of medical information in France, to integrate our technology into their Vidal Sentinel platform designed for hospitals. They call our API [Application Programming Interface] and the pharmacist or doctor can run personalised simulations until they reach what they estimate to be the best posology for a given patient,’ added Astic. Digital companion apps could also be


utilised by the pharma industry to support clinical drug trials and potentially speed time to market and reduce attrition at the trials stage. The app would effectively enable


remote, on time reporting, which would give investigators real-time insight into the effects of the drug within the cohort, as well as correlate drug effects to concentration, in the context of the individual patient. ‘Using this technology could allow trial sponsors to spot outliers before the whole study is jeopardised, and potentially reduce attrition rate from failed studies,’ Astic suggested.


in a number of predictive fields, and has already signed an agreement with FDA centred on the development of predictive tools for drug-induced liver injury, which the agency could use as a basis for industry guidance. ‘A separate collaboration is under discussion with the Evidence-Based Toxicology Collaboration at Johns Hopkins University, on generating predictive tools for drug and other chemicals’ development that use human biology-based information and might reduce the need for animal testing.’ The Covid-19-focused collaboration


with ExactCure, to which Elsevier is also providing the PharmaPendium data free of charge, is an evolution of a commercially focused partnership between the two firms.


Using AI in the fight against Covid-19 ExactCure is exploiting the PharmaPendium data and its own AI tools to build a simulation-based digital companion – a Digital Twin – app for smartphones that patients would use to help make sure that they use medicines safely, and at an appropriate dose and frequency, ‘whether that be an OTC painkiller, or an antiviral medicine,’ Astic notes. ‘This can help to prevent underdosing, overdosing, and to prevent drug-drug interactions or adverse events relating to the individual’s health status or even genetic profile.’


www.scientific-computing.com | @scwmagazine


“Our simulation models will give clinicians in hospitals, including ICU departments, guidance on the appropriate dose of a drug”


The Digital Twin is designed to simulate the efficacy and interactions of medicines in each individual’s body, based on the personal characteristics that have a proven influence on a specific medication. The easy-to-use app can indicate, for example, whether and when it is safe for the patient to take the next dose of their drug – and how much they can take – dependent on how much and when they dosed previously, and when they last took another medication that they require. ‘The AI-based software derives the


personalised guidance according to key patient-specific characteristics such as weight, age, gender, renal and liver function, smoking status, and genetic background. Importantly, it could also feed back information to the prescribing physician, so that they will know how well the patient is sticking to their drug schedule,’ Astic suggested. ‘Our first model, for paracetamol, could


Dosing optimisation for Covid-19 During early April, Certara launched the Covid-19 Pharmacology Resource Center, an online resource giving scientists around the world access to simulation and modelling tools to aid the design of clinical trials and optimise dosing regimes for candidate drugs such as hydroxychloroquine, and lopinavir/ritonavir, against SARS-CoV-2. Funded by the Bill & Melinda Gates Foundation and supporting global collaboration in the drive to develop new treatments for Covid-19, the Center offers researchers a workbench of in silico modelling tools, integrated with existing and emerging data. The new Center offers an accessible


outreach of the expertise that Certara provides within the global Covid-19 Therapeutics Accelerator, which has been set up with an initial $125 million in funding from the Gates Foundation, Wellcome and Mastercard, through which WHO, governments, healthcare providers and industry are collaborating to speed the development of therapeutics to treat Covid-19 or prevent SARS-CoV-2 infection. Craig Rayner, president, integrated drug


development at Certara explains: ‘Certara is providing expertise in translational and clinical pharmacology, quantitative science and regulatory strategy to support critical stage decisions, clinical trials design and dosing optimisation for Covid-19.’ For a virus like SARS-CoV-2, for example,


Certara researchers invest significant efforts in bringing the biology and math


Summer 2020 Scientific Computing World 21 g


Gorodenkoff/Shutterstock.com


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