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Full-Text Articles in Physical Sciences and Mathematics

Predicting Ffar4 Agonists Using Structure-Based Machine Learning Approach Based On Molecular Fingerprints, Zaid Anis Sherwani, Syeda Sumayya Tariq, Mamona Mushtaq, Ali Raza Siddiqui, Mohammad Nur-E-Alam, Aftab Ahmed, Zaheer Ul-Haq Apr 2024

Predicting Ffar4 Agonists Using Structure-Based Machine Learning Approach Based On Molecular Fingerprints, Zaid Anis Sherwani, Syeda Sumayya Tariq, Mamona Mushtaq, Ali Raza Siddiqui, Mohammad Nur-E-Alam, Aftab Ahmed, Zaheer Ul-Haq

Pharmacy Faculty Articles and Research

Free Fatty Acid Receptor 4 (FFAR4), a G-protein-coupled receptor, is responsible for triggering intracellular signaling pathways that regulate various physiological processes. FFAR4 agonists are associated with enhancing insulin release and mitigating the atherogenic, obesogenic, pro-carcinogenic, and pro-diabetogenic effects, normally associated with the free fatty acids bound to FFAR4. In this research, molecular structure-based machine-learning techniques were employed to evaluate compounds as potential agonists for FFAR4. Molecular structures were encoded into bit arrays, serving as molecular fingerprints, which were subsequently analyzed using the Bayesian network algorithm to identify patterns for screening the data. The shortlisted hits obtained via machine learning protocols …


Cardiogpt: An Ecg Interpretation Generation Model, Guohua Fu, Jianwei Zheng, Islam Abudayyeh, Chizobam Ani, Cyril Rakovski, Louis Ehwerhemuepha, Hongxia Lu, Yongjuan Guo, Shenglin Liu, Huimin Chu, Bing Yang Apr 2024

Cardiogpt: An Ecg Interpretation Generation Model, Guohua Fu, Jianwei Zheng, Islam Abudayyeh, Chizobam Ani, Cyril Rakovski, Louis Ehwerhemuepha, Hongxia Lu, Yongjuan Guo, Shenglin Liu, Huimin Chu, Bing Yang

Mathematics, Physics, and Computer Science Faculty Articles and Research

Numerous supervised learning models aimed at classifying 12-lead electrocardiograms into different groups have shown impressive performance by utilizing deep learning algorithms. However, few studies are dedicated to applying the Generative Pre-trained Transformer (GPT) model in interpreting electrocardiogram (ECG) using natural language. Thus, we are pioneering the exploration of this uncharted territory by employing the CardioGPT model to tackle this challenge. We used a dataset of ECGs (standard 10s, 12-channel format) from adult patients, with 60 distinct rhythms or conduction abnormalities annotated by board-certified, actively practicing cardiologists. The ECGs were collected from The First Affiliated Hospital of Ningbo University and Shanghai …


Nowcasting Heavy Rainfall With Convolutional Long Short-Term Memory Networks: A Pixelwise Modeling Approach, Yi Victor Wang, Seung Hee Kim, Geunsu Lyu, Choeng-Lyong Lee, Soorok Ryu, Gyuwon Lee, Ki-Hong Min, Menas C. Kafatos Apr 2024

Nowcasting Heavy Rainfall With Convolutional Long Short-Term Memory Networks: A Pixelwise Modeling Approach, Yi Victor Wang, Seung Hee Kim, Geunsu Lyu, Choeng-Lyong Lee, Soorok Ryu, Gyuwon Lee, Ki-Hong Min, Menas C. Kafatos

Institute for ECHO Articles and Research

The recent decades have seen an increasing academic interest in leveraging machine learning approaches to nowcast, or forecast in a highly short-term manner, precipitation at a high resolution, given the limitations of the traditional numerical weather prediction models on this task. To capture the spatiotemporal associations of data on input variables, a deep learning (DL) architecture with the combination of a convolutional neural network and a recurrent neural network can be an ideal design for nowcasting rainfall. In this study, a long short-term memory (LSTM) modeling structure is proposed with convolutional operations on input variables. To resolve the issue of …


De Novo Drug Design Using Transformer-Based Machine Translation And Reinforcement Learning Of An Adaptive Monte Carlo Tree Search, Dony Ang, Cyril Rakovski, Hagop S. Atamian Jan 2024

De Novo Drug Design Using Transformer-Based Machine Translation And Reinforcement Learning Of An Adaptive Monte Carlo Tree Search, Dony Ang, Cyril Rakovski, Hagop S. Atamian

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

The discovery of novel therapeutic compounds through de novo drug design represents a critical challenge in the field of pharmaceutical research. Traditional drug discovery approaches are often resource intensive and time consuming, leading researchers to explore innovative methods that harness the power of deep learning and reinforcement learning techniques. Here, we introduce a novel drug design approach called drugAI that leverages the Encoder–Decoder Transformer architecture in tandem with Reinforcement Learning via a Monte Carlo Tree Search (RL-MCTS) to expedite the process of drug discovery while ensuring the production of valid small molecules with drug-like characteristics and strong binding affinities towards …


Piecing Together Performance: Collaborative, Participatory Research-Through-Design For Better Diversity In Games, Daniel L. Gardner, Louanne Boyd, Reginald T. Gardner Jan 2024

Piecing Together Performance: Collaborative, Participatory Research-Through-Design For Better Diversity In Games, Daniel L. Gardner, Louanne Boyd, Reginald T. Gardner

Engineering Faculty Articles and Research

Digital games are a multi-billion-dollar industry whose production and consumption extend globally. Representation in games is an increasingly important topic. As those who create and consume the medium grow ever more diverse, it is essential that player or user-experience research, usability, and any consideration of how people interface with their technology is exercised through inclusive and intersectional lenses. Previous research has identified how character configuration interfaces preface white-male defaults [39, 40, 67]. This study relies on 1-on-1 play-interviews where diverse participants attempt to create “themselves” in a series of games and on group design activities to explore how participants may …