Open Software Development Research Articles

Rapid detection of microfibres in environmental samples using open-source visual recognition models

Microplastics, particularly microfibres (< 5 mm), are a significant environmental pollutant. Detecting and quantifying them in complex matrices is challenging and time-consuming. This study presents two open-source visual recognition models, YOLOv7 and Mask R-CNN, trained on extensive datasets for efficient microfibre identification in environmental samples. The YOLOv7 model is a new introduction to the microplastic quantification research, while Mask R-CNN has been previously used in similar studies. YOLOv7, with 71.4 % accuracy, and Mask R-CNN, with 49.9 % accuracy, demonstrate effective detection capabilities. Tested on aquatic samples from Seyðisfjörður, Iceland, YOLOv7 rapidly identifies microfibres, outperforming manual methods in speed. These models are user-friendly and widely accessible, making them valuable tools for microplastic contamination assessment. Their rapid processing offers results in seconds, enhancing research efficiency in microplastic pollution studies. By providing these models openly, we aim to support and advance microplastic quantification research. The integration of these advanced technologies with environmental science represents a significant step forward in addressing the global issue of microplastic pollution and its ecological and health impacts.

Challenges and opportunities for enhancing groundwater data access and usability in low- and middle-income countries: insights and recommendations from WaSH researchers and practitioners

ABSTRACT Groundwater provides more than half of all water for drinking and irrigation worldwide. Monitoring and managing groundwater resources is essential to achieve the Sustainable Development Goals. However, groundwater resources need to be better monitored. We explored practical approaches to improve groundwater monitoring for informed decision-making, focusing on low- and middle-income country settings. Case studies from a 2023 UNC Water and Health Conference side event highlighted innovative approaches, including open-source data modeling, groundwater monitoring in humanitarian contexts, and using in situ sensors to monitor drought resilience. The case studies described field data integration, remote sensing, and technology (e.g., Modflow-USG, ModelMuse, Drought Resilience Impact Platform). Barriers to groundwater data use were identified by side event participants, including inadequate data access, insufficient collaboration and leadership, and challenges in integrating diverse data and technology. Side event recommendations included creating a central groundwater monitoring data repository, building greater hydrogeology capacity in the WaSH sector, and increasing funding for data collection and monitoring. We urge government leaders to develop regulations and build internal capacity for sustainable groundwater management. This comprehensive approach aims to address challenges and promote informed decision-making for the long-term sustainability of groundwater resources.

Setting up light and noise maps to define the contours of a reserve of darkness and silence in Sherbrooke, Québec, Canada

Urban sprawl brings cities closer to natural areas, making them cohabit is a significant environmental challenge. Densification can also increase light and noise pollution, negatively affecting human and biodiversity well-being. Grounded on a collaboration between a college and a university, this work combines brightness and noise maps to establish the contours of a reserve of darkness and silence in Sherbrooke's Mont-Bellevue Park (Québec, Canada). The light and sound environments of the city are mapped by the research team using two devices mounted on vehicles or bicycles: a multispectral and multidirectional brightness sensor and a sound level meter. Long-term and fixed-point light and noise measurements were also conducted to develop the mobile measurement protocol. Wind tunnel measurements in an anechoic chamber were finally used to determine the effect of travel speed on measured noise levels, showing that speeds of less than 15 km/h ensure unbiased acoustic measurements using a windscreen. Perspectives include using the Noise Capture application to provide crowdsourced and additional noise levels at fixed measurement points. The open-source Noise Modelling tool will provide us with calculated environmental noise maps to be compared with measured data.

Numerical evaluation of rail track noise and vibration and components optimization

In the context of a project commissioned by the Swiss Federal Office for the Environment, an open-source modelling toolbox was developed to simulate and analyze rail tracks dynamics. In particular, a vibro-acoustic multi-sleeper model, which is based on advanced finite element modelling techniques, was used to investigate the effects of components properties on track noise and vibration. Considering changes around a reference construction (60E2 rail, SBB hard pad, B91 sleeper), parametric studies were performed on the dominant parameters identified for the acoustic and ballast protection performance indicators defined. The following sweet spot for the component properties of the track have been identified as using a rail pad of medium stiffness (1000 kN/mm at 1kHz, 300 kN/mm static stiffness) and high damping (at least 0.5) combined with soft Under Sleeper Pads (250 kN/mm). Based on the present models, such combination could provide both a significant noise reduction and a marked improvement in ballast protection compared to current track construction.

Multi-scale spiking network model of human cerebral cortex.

Although the structure of cortical networks provides the necessary substrate for their neuronal activity, the structure alone does not suffice to understand the activity. Leveraging the increasing availability of human data, we developed a multi-scale, spiking network model of human cortex to investigate the relationship between structure and dynamics. In this model, each area in one hemisphere of the Desikan-Killiany parcellation is represented by a $1\,\mathrm{mm^{2}}$ column with a layered structure. The model aggregates data across multiple modalities, including electron microscopy, electrophysiology, morphological reconstructions, and diffusion tensor imaging, into a coherent framework. It predicts activity on all scales from the single-neuron spiking activity to the area-level functional connectivity. We compared the model activity with human electrophysiological data and human resting-state functional magnetic resonance imaging (fMRI) data. This comparison reveals that the model can reproduce aspects of both spiking statistics and fMRI correlations if the inter-areal connections are sufficiently strong. Furthermore, we study the propagation of a single-spike perturbation and macroscopic fluctuations through the network. The open-source model serves as an integrative platform for further refinements and future in silico studies of human cortical structure, dynamics, and function.

Comparing Commercial and Open-Source Large Language Models for Labeling Chest Radiograph Reports.

Background Rapid advances in large language models (LLMs) have led to the development of numerous commercial and open-source models. While recent publications have explored OpenAI's GPT-4 to extract information of interest from radiology reports, there has not been a real-world comparison of GPT-4 to leading open-source models. Purpose To compare different leading open-source LLMs to GPT-4 on the task of extracting relevant findings from chest radiograph reports. Materials and Methods Two independent datasets of free-text radiology reports from chest radiograph examinations were used in this retrospective study performed between February 2, 2024, and February 14, 2024. The first dataset consisted of reports from the ImaGenome dataset, providing reference standard annotations from the MIMIC-CXR database acquired between 2011 and 2016. The second dataset consisted of randomly selected reports created at the Massachusetts General Hospital between July 2019 and July 2021. In both datasets, the commercial models GPT-3.5 Turbo and GPT-4 were compared with open-source models that included Mistral-7B and Mixtral-8 × 7B (Mistral AI), Llama 2-13B and Llama 2-70B (Meta), and Qwen1.5-72B (Alibaba Group), as well as CheXbert and CheXpert-labeler (Stanford ML Group), in their ability to accurately label the presence of multiple findings in radiograph text reports using zero-shot and few-shot prompting. The McNemar test was used to compare F1 scores between models. Results On the ImaGenome dataset (n = 450), the open-source model with the highest score, Llama 2-70B, achieved micro F1 scores of 0.97 and 0.97 for zero-shot and few-shot prompting, respectively, compared with the GPT-4 F1 scores of 0.98 and 0.98 (P > .99 and < .001 for superiority of GPT-4). On the institutional dataset (n = 500), the open-source model with the highest score, an ensemble model, achieved micro F1 scores of 0.96 and 0.97 for zero-shot and few-shot prompting, respectively, compared with the GPT-4 F1 scores of 0.98 and 0.97 (P < .001 and > .99 for superiority of GPT-4). Conclusion Although GPT-4 was superior to open-source models in zero-shot report labeling, few-shot prompting with a small number of example reports closely matched the performance of GPT-4. The benefit of few-shot prompting varied across datasets and models. © RSNA, 2024 Supplemental material is available for this article.

Self-supervised learning on MeerKAT wide-field continuum images

Context. Self-supervised learning (SSL) applied to natural images has demonstrated a remarkable ability to learn meaningful, low-dimension representations without labels, resulting in models that are adaptable to many different tasks. Until now, applications of SSL to astronomical images have been limited to Galaxy Zoo datasets, which require a significant amount of preprocessing to prepare sparse images centered on a single galaxy. With wide-field survey instruments at the forefront of the Square Kilometer Array (SKA) era, this approach to gathering training data is impractical. Aims. We demonstrate that continuum images from surveys such as the MeerKAT Galactic Cluster Legacy Survey (MGCLS) can be successfully used with SSL, without extracting single-galaxy cutouts. Methods. Using the SSL framework DINO, we experimented with various preprocessing steps, augmentations, and architectures to determine the optimal approach for this data. We trained both ResNet50 and Vision Transformer (ViT) backbones. Results. Our models match state-of-the-art results (trained on Radio Galaxy Zoo) for FRI/FRII morphology classification. Furthermore, they predict the number of compact sources via linear regression with much higher accuracy. Open-source foundation models trained on natural images such as DINOv2 also excel at simple FRI/FRII classification; the advantage of domain-specific backbones is much smaller models trained on far less data. Smaller models are more efficient to fine-tune, and doing so results in a similar performance between our models, the state-of-the-art, and open-source models on multi-class morphology classification. Conclusions. Using source-rich crops from wide-field images to train multi-purpose models is an easily scalable approach that significantly reduces data preparation time. For the tasks evaluated in this work, twenty thousand crops is sufficient training data for models that produce results similar to state-of-the-art. In the future, complex tasks like source detection and characterization, together with domain-specific tasks, ought to demonstrate the true advantages of training models with radio astronomy data over natural-image foundation models.

OSAIRIS: Lessons Learned from the Hospital-Based Implementation and Evaluation of an Open-Source Deep-Learning Model for Radiotherapy Image Segmentation

Several studies report the benefits and accuracy of using autosegmentation for organ at risk (OAR) outlining in radiotherapy treatment planning. Typically, evaluations focus on accuracy metrics, and other parameters such as perceived utility and safety are routinely ignored. Here we report our finding from the implementation and clinical evaluation of OSAIRIS, an open-source AI model for radiotherapy image segmentation, that was carried out as part of its development into a medical device. The device contours OARs in the head and neck and male pelvis (referred to as the prostate model), and is designed to be used as a time-saving workflow device, alongside a clinician. Unlike standard evaluation processes, which heavily rely on accuracy metrics alone, our evaluation sought to demonstrate the tangible benefits, quantify utility and assess risk within a specific clinical workflow. We evaluated the time-saving benefit this device affords to clinicians, and how this time-saving might be linked to accuracy metrics, as well as the clinicians’ assessment of the usability of the OSAIRIS contours in comparison to their colleagues’ contours and those from other commercial AI contouring devices. Our safety evaluation focused on whether clinicians can notice and correct any errors should they be included in the output of the device.We found that OSAIRIS affords a significant time-saving of 36% (5.4 ± 2.1 minutes) when used for prostate contouring and 67% (30.3 ± 8.7 minutes) for head and neck contouring. Combining editing time data with accuracy metrics, we found the Hausdorff distance best correlated with editing-time, outperforming dice, the industry-standard, with a Spearman correlation coefficient of 0.70, and a Kendall coefficient of 0.52. Our safety and risk-mitigation exercise showed that anchoring bias is present when clinicians edit AI-generated contours, with the effect seemingly more pronounced for some structures over others. Most errors, however, were corrected by clinicians, with 72% of the head and neck errors 81% of the prostate errors removed in the editing step. Notably, our blinded clinician contour rating exercise showed that gold standard clinician contours are not rated more highly than the AI-generated contours.We conclude that evaluations of AI in a clinical setting must consider the clinical workflow in which the device will be used, and not rely on accuracy metrics alone, in order to reliably assess the benefits, utility and safety of the device. The effects of human-AI inter-operation must be evaluated to accurately assess the practical usability and potential uptake of the technology, as demonstrated in our blinded clinical utility review. The clinical risks posed by the use of the device must be studied and mitigated as far as possible, and our ‘Mystery Shopping’ experiment provides a template for future such assessments.

Enhancing industrial IoT with edge computing and computer vision: An analog gauge visual digitization approach

The advent of Industry 4.0 has led to the widespread adoption of Industrial Internet of Things (IIoT) and Computer Vision technologies in manufacturing. However, handling the massive data generated by IIoT poses challenges. To address this, we propose a software and hardware architecture that combines edge computing with IIoT to enable computer vision applications on manufacturing floors. This research contributes to integrating edge computing and IIoT with Computer Vision technologies in manufacturing facilities, offering a cost-effective and scalable solution for machine vision applications. This approach benefits Small and Medium Manufacturers (SMMs) by utilizing low-cost hardware and open-source technologies, enabling them to harness Industry 4.0 advantages. Our approach involves IoT devices using Raspberry Pi microcomputers and USB webcams as clients and a Python-based edge node server software as the central component. Our test case study results show that a centralized edge-computing solution can offer several useability benefits and a significant performance increase over using a non-edge-enabled IIoT approach. The proposed architecture is tested, validated, and verified through a case study focused on the digitization of the readings of analog gauges. Our experimentation results can offer valuable insights and guidance for the broader adoption of edge-enabled IIoT solutions in manufacturing contexts.

Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS

In this study, we introduce openCOSMO-RS 24a, an improved version of the open-source COSMO-RS model parameterized using quantum chemical calculations from ORCA 6.0, leveraging a comprehensive dataset that includes solvation free energies, partition coefficients, and infinite dilution activity coefficients for various solutes and solvents mainly at 25 °C. This is the first version of the model also capable of predicting solvation free energies based on ORCA calculations. Additionally, we develop a Quantitative Structure-Property Relationships model to predict molar volumes of the solvents, an essential requirement for predicting solvation free energies and partition coefficients from structure alone. Our results show that openCOSMO-RS 24a achieves an average absolute deviation of 0.45 kcal mol1 for solvation free energies, 0.76 for the logarithm of the partition coefficients, and 0.51 for the logarithm of infinite dilution activity coefficients, demonstrating improvements over the previous openCOSMO-RS 22 parameterization and comparable results to COSMOtherm 24 BP-TZVP. The user interface was extended to be able use it as solvation model directly from within ORCA 6.0 or from the command line to provide researchers with a robust tool for applications in chemical and materials science.

Impact of applying machine learning to the electronic medical record on prediction of cancer-associated thrombosis.

409 Background: Cancer-associated thrombosis (CAT) is preventable among high-risk individuals with prophylactic anticoagulation. Risk assessment tools focus only on the initial period after cancer diagnosis; however, some patients may face different risks during different periods of their cancer journey. We developed a longitudinal machine learning system to predict the risk of CAT throughout cancer treatment. Methods: Using electronic health record data at Princess Margaret Cancer Centre, we assembled a cohort of people with thoracic and gastrointestinal cancer receiving systemic treatments between August 1, 2017 and December 31, 2019. We manually labelled 5,000 CT scans and 500 Doppler ultrasounds for the occurrence of CAT. We fine-tuned open-source large language models (LLMs) on those labelled reports, which we then used to automatically detect CAT among all 37,000 CT scans and Dopplers. Finally, we trained longitudinal machine learning systems to predict CAT within 90 days after each cancer treatment. LLMs and the CAT risk prediction system were evaluated among the held-out test cohort of people whose first treatment occurred in 2019. Results: The overall cohort included 2,031 patients and 21,375 treatment sessions. When classifying radiology reports, the fine-tuned LLM achieved an area under the receiver operating characteristic curve (AUROC) of 0.758 for DVT and 0.988 for PE in the test cohort. CAT occurred within 90 days after 6.23% of treatment sessions. The best ML system predicted the risk of CAT within 90 days with an AUROC of 0.651 (95% CI, 0.620-0.678). Considering only the first treatment per patient, treatments within the first 90 days after the first treatment, and treatments after 90 days, the system achieved AUROC of 0.639 (95% CI, 0.568-0.704), 0.599 (95% CI, 0.559-0.642), and 0.741 (95% CI, 0.699-0.783), respectively. Conclusions: Machine learning can longitudinally predict CAT among patients receiving systemic therapy for aerodigestive cancers. These systems could personalize prophylactic anticoagulation by identifying specific periods when patients face sufficient risk to warrant prevention.

OphGLM: An ophthalmology large language-and-vision assistant

Vision computer-aided diagnostic methods have been used in early ophthalmic disease screening and diagnosis. However, the limited output formats of these methods lead to poor human–computer interaction and low clinical applicability value. Thus, ophthalmic visual question answering is worth studying. Unfortunately, no practical solutions exist before Large Language Models(LLMs). In this paper, we investigate the ophthalmic visual diagnostic interaction problem. We construct an ophthalmology large language-and-vision assistant, OphGLM, consisting of an image encoder, a text encoder, a fusion module, and an LLM module. We establish a new Chinese ophthalmic fine-tuning dataset, FundusTuning-CN, including the fundus instruction and conversation sets. Based on FundusTuning-CN, we establish a novel LLM-tuning strategy to introduce visual model understanding and ophthalmic knowledge into LLMs at a low cost and high efficiency. Leveraging the pre-training of the image encoder, OphGLM demonstrates strong visual understanding and surpasses open-source visual language models in common fundus disease classification tasks. The FundusTuning-CN enables OphGLM to surpass open-source medical LLMs in both ophthalmic knowledge and interactive capabilities. Our proposed OphGLM has the potential to revolutionize clinical applications in ophthalmology. The dataset, code, and models will be publicly available at https://github.com/ML-AILab/OphGLM.

A ferry route in the Skagerrak optimised via VISIR-2

Abstract Urgent measures are needed for the shipping industry to contribute proportionately to climate change mitigation. To date, the potential of weather routing has not been reproducibly assessed, especially for short sea shipping. We employ the open-source VISIR-2 model on a ferry passage in the Skagerrak (the strait among Norway, Sweden, and Denmark), considering both sea currents and waves. By computing 5,840 least-CO2 optimal routes for 2023, we find promising results, particularly for voyages from Denmark. The savings follow a bi-exponential distribution, with over 10% CO2 emissions savings achievable on about ten days per year. Specifically, the Norwegian coastal current can be harnessed to enhance speed over ground and reduce overall emissions. The vessel performance curve needs to be tailored to specific ships in service, and the optimisation algorithm should be developed to enable just-in-time arrivals.

Simulation-free prediction of atrial fibrillation inducibility with the fibrotic kernel signature

Computational models of atrial fibrillation (AF) can help improve success rates of interventions, such as ablation. However, evaluating the efficacy of different treatments requires performing multiple costly simulations by pacing at different points and checking whether AF has been induced or not, hindering the clinical application of these models. In this work, we propose a classification method that can predict AF inducibility in patient-specific cardiac models without running additional simulations. Our methodology does not require re-training when changing atrial anatomy or fibrotic patterns. To achieve this, we develop a set of features given by a variant of the heat kernel signature that incorporates fibrotic pattern information and fiber orientations: the fibrotic kernel signature (FKS). The FKS is faster to compute than a single AF simulation, and when paired with machine learning classifiers, it can predict AF inducibility in the entire domain. To learn the relationship between the FKS and AF inducibility, we performed 2371 AF simulations comprising 6 different anatomies and various fibrotic patterns, which we split into training and a testing set. We obtain a median F1 score of 85.2% in test set and we can predict the overall inducibility with a mean absolute error of 2.76 percent points, which is lower than alternative methods. We think our method can significantly speed-up the calculations of AF inducibility, which is crucial to optimize therapies for AF within clinical timelines. An example of the FKS for an open source model is provided in https://github.com/tbanduc/FKS_AtrialModel_Ferrer.git.

Driving sustainable energy transitions with a multi-source RAG-LLM system

By 2035, the UK aims to upgrade all homes to achieve a net-zero economy by 2050, thereby reducing energy consumption, household costs, and improving living conditions. Small and Medium-sized Enterprises (SMEs) play a crucial role in this transition. However, many SME contractors lack essential information on Sustainable Energy Initiatives (SEIs) and the relevant Energy landscape necessary for driving Sustainable Energy Transitions (SETs). This knowledge gap poses risks to SME interventions, potentially leading to increased costs and inefficiencies. Accessing timely information on SEIs including government policies, funding, technologies, and environmental impacts from various media sources is essential for guiding effective SETs and understanding the relevant Energy landscape, thereby facilitating informed decision-making. Currently, SMEs lack an integrated system that consolidates data from diverse media sources into a centralized Information System (IS), limiting their ability to effectively navigate SEIs. To address this gap, this research introduces an Energy Chatbot, a sustainable IS that utilizes Large Language Models (LLMs) integrated with multi-source Retrieval Augmented Generation (RAG). This system encompasses diverse media sources, including news articles, government reports, industry publications, academic research, and social media. The Energy Chatbot is designed to enhance decision-making for SMEs by providing comprehensive Energy sector insights through a Question Answering (QA) system. Key findings emphasize that this approach reduces costs by utilizing open-source models. Moreover, the Energy Chatbot provides SMEs with access to up-to-date information, enabling them to identify long-term sustainability strategies and maintain a competitive edge in the evolving Energy landscape.

Towards building multilingual language model for medicine

The development of open-source, multilingual medical language models can benefit a wide, linguistically diverse audience from different regions. To promote this domain, we present contributions from the following: First, we construct a multilingual medical corpus, containing approximately 25.5B tokens encompassing 6 main languages, termed as MMedC, enabling auto-regressive domain adaptation for general LLMs; Second, to monitor the development of multilingual medical LLMs, we propose a multilingual medical multi-choice question-answering benchmark with rationale, termed as MMedBench; Third, we have assessed a number of open-source large language models (LLMs) on our benchmark, along with those further auto-regressive trained on MMedC. Our final model, MMed-Llama 3, with only 8B parameters, achieves superior performance compared to all other open-source models on both MMedBench and English benchmarks, even rivaling GPT-4. In conclusion, in this work, We present a large-scale corpus, a benchmark and a series of models to support the development of multilingual medical LLMs.

An open-source fine-tuned large language model for radiological impression generation: a multi-reader performance study

BackgroundThe impression section integrates key findings of a radiology report but can be subjective and variable. We sought to fine-tune and evaluate an open-source Large Language Model (LLM) in automatically generating impressions from the remainder of a radiology report across different imaging modalities and hospitals.MethodsIn this institutional review board-approved retrospective study, we collated a dataset of CT, US, and MRI radiology reports from the University of California San Francisco Medical Center (UCSFMC) (n = 372,716) and the Zuckerberg San Francisco General (ZSFG) Hospital and Trauma Center (n = 60,049), both under a single institution. The Recall-Oriented Understudy for Gisting Evaluation (ROUGE) score, an automatic natural language evaluation metric that measures word overlap, was used for automatic natural language evaluation. A reader study with five cardiothoracic radiologists was performed to more strictly evaluate the model’s performance on a specific modality (CT chest exams) with a radiologist subspecialist baseline. We stratified the results of the reader performance study based on the diagnosis category and the original impression length to gauge case complexity.ResultsThe LLM achieved ROUGE-L scores of 46.51, 44.2, and 50.96 on UCSFMC and upon external validation, ROUGE-L scores of 40.74, 37.89, and 24.61 on ZSFG across the CT, US, and MRI modalities respectively, implying a substantial degree of overlap between the model-generated impressions and impressions written by the subspecialist attending radiologists, but with a degree of degradation upon external validation. In our reader study, the model-generated impressions achieved overall mean scores of 3.56/4, 3.92/4, 3.37/4, 18.29 s,12.32 words, and 84 while the original impression written by a subspecialist radiologist achieved overall mean scores of 3.75/4, 3.87/4, 3.54/4, 12.2 s, 5.74 words, and 89 for clinical accuracy, grammatical accuracy, stylistic quality, edit time, edit distance, and ROUGE-L score respectively. The LLM achieved the highest clinical accuracy ratings for acute/emergent findings and on shorter impressions.ConclusionsAn open-source fine-tuned LLM can generate impressions to a satisfactory level of clinical accuracy, grammatical accuracy, and stylistic quality. Our reader performance study demonstrates the potential of large language models in drafting radiology report impressions that can aid in streamlining radiologists’ workflows.

Developing Robust Human Liver Microsomal Stability Prediction Models: Leveraging Inter-Species Correlation with Rat Data.

Objectives: Pharmacokinetic issues were the leading cause of drug attrition, accounting for approximately 40% of all cases before the turn of the century. To this end, several high-throughput in vitro assays like microsomal stability have been developed to evaluate the pharmacokinetic profiles of compounds in the early stages of drug discovery. At NCATS, a single-point rat liver microsomal (RLM) stability assay is used as a Tier I assay, while human liver microsomal (HLM) stability is employed as a Tier II assay. We experimentally screened and collected data on over 30,000 compounds for RLM stability and over 7000 compounds for HLM stability. Although HLM stability screening provides valuable insights, the increasing number of hits generated, along with the time- and resource-intensive nature of the assay, highlights the need for alternative strategies. One promising approach is leveraging in silico models trained on these experimental datasets. Methods: We describe the development of an HLM stability prediction model using our in-house HLM stability dataset. Results: Employing both classical machine learning methods and advanced techniques, such as neural networks, we achieved model accuracies exceeding 80%. Moreover, we validated our model using external test sets and found that our models are comparable to some of the best models in literature. Additionally, the strong correlation observed between our RLM and HLM data was further reinforced by the fact that our HLM model performance improved when using RLM stability predictions as an input descriptor. Conclusions: The best model along with a subset of our dataset (PubChem AID: 1963597) has been made publicly accessible on the ADME@NCATS website for the benefit of the greater drug discovery community. To the best of our knowledge, it is the largest open-source model of its kind and the first to leverage cross-species data.

Open-source hand prosthesis: evaluation of mechanical feasibility and additive manufacturing potential

This study delves into the risks associated with 3D-printed hand prostheses lacking mechanical feasibility studies. Such unvalidated prostheses may exhibit various issues like durability shortcomings, anatomical incompatibility, functional safety concerns, manufacturing quality deficiencies, and health risks due to inappropriate materials. These issues can lead to damage or premature failure during use, discomfort, skin irritation, injuries, inability to withstand functional loads, and health hazards from toxic or allergenic substances. Therefore, ensuring the safety, quality, and effectiveness of these prostheses is crucial. The study focuses on a mechanical feasibility study conducted through Finite Element Analysis (FEA) simulations on an open-source hand prosthesis model. It evaluates mechanical properties, stress concentration areas, and displacement on the prosthesis surface. The methodology comprises three key steps: acquiring the virtual model, conducting computational simulations, and selecting the 3D printing material. The simulations assess the prosthesis’s ability to withstand compressive forces and identify stress concentration areas. Results from the study indicate that using PETG as the constituent material demonstrates mechanical viability and satisfactory performance under static force conditions. This finding underscores the importance of rigorous testing and adherence to standards in developing 3D-printed hand prostheses. Such studies contribute significantly to enhancing these devices’ safety and effectiveness, facilitating their broader adoption in healthcare settings. In summary, this study highlights the critical need for mechanical feasibility studies in the development of 3D-printed hand prostheses. It emphasizes the significance of following strict standards and regulations to ensure these devices’ safety, quality, and functionality. By doing so, it paves the way for the widespread use of these prostheses in healthcare, benefiting users and advancing the field of prosthetic technology.

Servicing open-source large language models for oncology

Servicing open-source large language models for oncology