This paper introduces BRADSHAW (Biological Response Analysis and Design System using an Heterogenous, Automated Workflow), a system for automated molecular design which integrates methods for chemical structure generation, experimental design, active learning and cheminformatics tools. The simple user interface is designed to facilitate access to large scale automated design whilst minimising software development required to introduce new algorithms, a critical requirement in what is a very fast moving field. The system embodies a philosophy of automation, best practice, experimental design and the use of both traditional cheminformatics and modern machine learning algorithms.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7292824 | PMC |
| http://dx.doi.org/10.1007/s10822-019-00234-8 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Protocol for quantifying muscle fiber size, number, and central nucleation of mouse skeletal muscle cross-sections using Myotally software.
STAR Protoc
January 2025
Department of Neurology and Neurological Sciences, Stanford University School of Medicine, Stanford, CA 94305, USA; Neurology Service, Veterans Affairs Palo Alto Health Care System, Palo Alto, CA 94304, USA. Electronic address:
Here, we present a protocol for using Myotally, a user-friendly software for fast, automated quantification of muscle fiber size, number, and central nucleation from immunofluorescent stains of mouse skeletal muscle cross-sections. We describe steps for installing the software, preparing compatible images, finding the file path, and selecting key parameters like image quality and size limits. We also detail optional features, such as measuring mean fluorescence.
View Article and Find Full Text PDFReview of advanced sensor system applications in grinding operations.
J Adv Res
January 2025
Department of Mechanics and Strength of Materials, Politehnica University Timisoara, 1 Mihai Viteazu Avenue, 300 222 Timisoara, Romania. Electronic address:
Background: Today, in a wide variety of industries, grinding operations are an extremely important finishing process for obtaining precise dimensions and meeting strict requirements for roughness and shape accuracy. However, the constant wear of abrasive tools during grinding negatively affects the dimensional and surface conditions of the workpiece. Therefore, effective monitoring of the wear process during grinding operations helps to predict tool life, plan maintenance and ensure consistent product quality.
View Article and Find Full Text PDFDo-it-yourself instrument integration into an existing mammalian cell line development automation platform.
SLAS Technol
January 2025
Cell Line Development, WuXi Biologics, Shanghai, China, 288 Fute Zhong Road, Waigaoqiao Free Trade Zone, Shanghai 200131, China.
Laboratory automation in the biopharmaceutical industry as a rule requires contracted service from highly professional automation solution provider, at times involving the purchase and development of specialized or customized hardware and software, which can be proprietary and expensive. Alternatively, with the availability of open-source software customized for automation, it is possible to automate existing laboratory instruments in a do-it-yourself (DIY), low-cost, and flexible fashion. In this work, we used an open-source scripting language, AutoIt, to integrate an existing microplate imager into an existing automation platform that is already equipped with a 4-axis robotic arm and an automated incubator, to achieve automation of the imaging procedure in our cell line development workflow.
View Article and Find Full Text PDFComprehensive risk assessment of the patient transfer task using the walking belt and floor lift.
Disabil Rehabil Assist Technol
January 2025
Neurorehabilitation Engineering and Assistance Systems Research (NEAR), School of Mechanical Engineering, Universiti Sains Malaysia, Penang, Malaysia.
Work-related musculoskeletal disorders (WMSDs) during bed-to-wheelchair and wheelchair-to-commode transfers are a significant concern, yet prior assessments often focused on specific subtasks, overlooking potential cumulative risks. This study employed Xsens Inertial Measurement Units (IMUs) and force plates integrated with an automated Rapid Entire Body Assessment (REBA) system to provide a continuous and comprehensive evaluation of WMSDs risks associated with the use of a walking belt and a floor lift. The continuous assessment revealed peak REBA scores ranging from 8.
View Article and Find Full Text PDFDeep learning multi-classification of middle ear diseases using synthetic tympanic images.
Acta Otolaryngol
January 2025
Department of Otorhinolaryngology, Institute of Science Tokyo, Tokyo, Japan.
Background: Recent advances in artificial intelligence have facilitated the automatic diagnosis of middle ear diseases using endoscopic tympanic membrane imaging.
Aim: We aimed to develop an automated diagnostic system for middle ear diseases by applying deep learning techniques to tympanic membrane images obtained during routine clinical practice.
Material And Methods: To augment the training dataset, we explored the use of generative adversarial networks (GANs) to produce high-quality synthetic tympanic images that were subsequently added to the training data.
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!