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Accelerate drug repurposing with in-silico molecular modelling techniques, tools and databases: A comprehensive review 利用室内分子建模技术、工具和数据库加速药物再利用:全面综述
Pub Date : 2024-07-30 DOI: 10.30574/ijsra.2024.12.2.1197
Vanisri. M, Sreesivasakthi. A, MuthuKaviya. M, Roja Jayashankar, Salai Dhivyathai. N, Rajaganapathy. K, Srinivasan.R
Exploring innovative ways to accelerate drug repurposing through in-silico molecular modeling techniques, tools, and databases is paramount in modern pharmaceutical research. Exploring the vast landscape of drug repurposing presents both a challenge and an opportunity in the realm of pharmaceutical research. With the escalating costs and time-consuming nature of developing new drugs from scratch, the urgency to identify novel therapeutic uses for existing compounds has never been more pressing. Readers can expect a detailed exploration of how computational methods are revolutionizing drug repurposing efforts, offering insights into accelerated drug discovery and development timelines. This comprehensive review dives deep into the opportunities and challenges of leveraging computational approaches to identify new therapeutic uses for existing drugs and this article highlights the potential of in-silico methods to revolutionize drug discovery by repurposing existing compounds efficiently and cost-effectively, ultimately leading to faster development timelines and improved patient outcomes and will be focused for In-silico molecular modeling techniques, tools, and databases as powerful allies in expediting this crucial process.
在现代药物研究中,最重要的是探索创新方法,通过室内分子建模技术、工具和数据库加速药物再利用。探索药物再利用的广阔前景既是制药研究领域的挑战,也是机遇。随着从零开始开发新药的成本不断攀升且耗时漫长,为现有化合物寻找新的治疗用途变得空前紧迫。读者可以详细了解计算方法如何彻底改变药物再利用的工作,为加快药物发现和开发时间提供真知灼见。这篇全面的综述深入探讨了利用计算方法为现有药物确定新的治疗用途所带来的机遇和挑战,文章强调了 In-silico 方法通过高效、经济地重新利用现有化合物来彻底改变药物发现的潜力,最终加快开发进度,改善患者治疗效果,并将重点介绍 In-silico 分子建模技术、工具和数据库,它们是加快这一关键过程的强大盟友。
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引用次数: 0
Mangrove flora as an ecotourism attraction in the Perancak Mangrove, Jembrana Bali 巴厘岛珍布拉纳 Perancak 红树林的红树林植物区系作为生态旅游的一个景点
Pub Date : 2024-07-30 DOI: 10.30574/ijsra.2024.12.2.1251
I Ketut Ginantra, I Ketut Muksin, Martin Joni
The coastal mangroves of Perancak Jembrana Village cover an area of around 177.09 hectares, some of the area (around 10 ha) has been developed into a tourist attraction. The tourism being developed is ecotourism based on ecology, biodiversity, conservation of natural resources, environmental education and economic empowerment of local communities. The aim of the research is to identify and describe the diversity of mangrove flora. Analysis of mangrove vegetation uses the square method, the parameters determined are the number of individuals of each species, the area of canopy cover for each species and the frequency of presence. Diversity was calculated with the Shanon-Wiener index. The research results showed that in the Perancak ecotourism area, 25 mangrove flora were found, consisting of 16 species of true mangrove flora and nine species of associated mangroves. The species that dominate are Rhizophora mucronata (important value 52.63), Rhizophora apiculata (important value 31.93), Avicennia marina (28.70), Rhizophora stylosa (important value 24.81), Avicennia officinalis (important value 17, 73) and Sonneratia alba (important value 16.39). The diversity index (H) is 2.89 and the species evenness index is 0.90. Species diversity in mengrove vegetation with a diversity index >1 and evenness approaching 1 means that the condition of the Perancak mangrove is in the stable/good category. Interpretation of the diversity of mangrove flora, habitus characteristics, fruit morphology, root types, typical substrate types is an interesting attraction for ecotourism activities.
Perancak Jembrana 村的沿海红树林面积约为 177.09 公顷,其中部分区域(约 10 公顷)已开发成旅游景点。正在开发的旅游业是基于生态、生物多样性、自然资源保护、环境教育和当地社区经济赋权的生态旅游。研究的目的是识别和描述红树林植物群的多样性。红树林植被分析采用平方法,确定的参数包括每个物种的个体数量、每个物种的树冠覆盖面积和存在频率。多样性用 Shanon-Wiener 指数计算。研究结果表明,在 Perancak 生态旅游区发现了 25 种红树林植物群,包括 16 种真正的红树林植物群和 9 种伴生红树林植物群。主要物种有:Rhizophora mucronata(重要价值 52.63)、Rhizophora apiculata(重要价值 31.93)、Avicennia marina(重要价值 28.70)、Rhizophora stylosa(重要价值 24.81)、Avicennia officinalis(重要价值 17.73)和 Sonneratia alba(重要价值 16.39)。多样性指数(H)为 2.89,物种均匀度指数为 0.90。红树林植被的物种多样性指数大于 1,均匀度接近 1,意味着佩兰查克红树林的状况属于稳定/良好类别。对红树林植物区系的多样性、习性特征、果实形态、根系类型、典型基质类型的解读是生态旅游活动的一个有趣亮点。
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引用次数: 0
Comparing ai detectors: evaluating performance and efficiency 比较人工智能探测器:评估性能和效率
Pub Date : 2024-07-30 DOI: 10.30574/ijsra.2024.12.2.1276
Jeremie Busio Legaspi, Roan Joyce Ohoy Licuben, Emmanuel Alegado Legaspi, Joven Aguinaldo Tolentino
The widespread utilization of AI tools such as ChatGPT has become increasingly prevalent among learners, posing a threat to academic integrity. This study seeks to evaluate capability and efficiency of AI detection tools in distinguishing between human-authored and AI-generated works. Three-paragraph works on “AutoCAD and Architecture” were generated through ChatGPT, and three human-written works were subjected to evaluation. AI detection tools such as GPTZero, Copyleaks and Writer AI were used to evaluate these paragraphs. Parameters such as “Human/Human Text/Human Generated Text” and “AI/AI Content Detected” were used to evaluate the performance of the three AI detection tools in evaluating outputs. Findings indicate that GPT Zero and Copyleaks have higher reliability in determining human-authored work and AI generated work while Writer AI showed a notable content classification of “Human Generated Content” on all tested outputs showing less sensitivity on determining human-authored work and AI generated work. Findings indicate that the use of Artificial Intelligence as an AI detection tool should be accompanied with thorough validation and cross-referencing of results.
人工智能工具(如 ChatGPT)在学习者中的广泛使用日益普遍,对学术诚信构成了威胁。本研究旨在评估人工智能检测工具在区分人类撰写的作品和人工智能生成的作品方面的能力和效率。通过 ChatGPT 生成了三段关于 "AutoCAD 与建筑 "的作品,并对三段人类撰写的作品进行了评估。使用 GPTZero、Copyleaks 和 Writer AI 等人工智能检测工具对这些段落进行评估。使用 "人类/人类文本/人类生成文本 "和 "检测到的人工智能/人工智能内容 "等参数来评估三种人工智能检测工具在评估输出方面的性能。结果表明,GPT Zero 和 Copyleaks 在确定人类撰写的作品和人工智能生成的作品方面具有更高的可靠性,而 Writer AI 在所有测试输出中显示出显著的 "人类生成内容 "内容分类,在确定人类撰写的作品和人工智能生成的作品方面显示出较低的灵敏度。研究结果表明,在使用人工智能作为人工智能检测工具的同时,还应对结果进行彻底验证和交叉引用。
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引用次数: 0
In-vitro and In-vivo screening methods for targeting HMBG1 in RA: A comprehensive overview 针对 RA 中 HMBG1 的体外和体内筛选方法:全面概述
Pub Date : 2024-07-30 DOI: 10.30574/ijsra.2024.12.2.1237
S. Kalaivanan, S. Showbharnikhaa, T. Thenmozhi, S. Preethi, A. Ayisha Siddiqkha, A. Hema Malini, K. Rajaganapathy, R. Srinivasan
Targeting High Mobility Group Box 1 (HMGB1) in rheumatoid arthritis (RA) holds promise for mitigating inflammation and joint damage. This paper comprehensively overviews In Vitro and In Vivo screening methods for HMGB1 targeting in RA. In Vitro, assays include cell-based assays, ELISA, and Western blotting to assess HMGB1 release, receptor activation, and downstream signalling pathways. In Vivo, models such as collagen-induced arthritis (CIA) in mice and adjuvant-induced arthritis (AIA) in rats mimic RA pathogenesis and enable evaluation of HMGB1 inhibitors' efficacy, safety, and pharmacokinetics. Advanced imaging technologies, including PET and MRI, allow non-invasive visualization of HMGB1 expression In Vivo. Biomarker analyses complement screening methods by correlating HMGB1 levels with disease activity and treatment response. Integration of these screening methods facilitates the development of HMGB1-targeted therapies with the potential to transform RA management. In this review we proposed certain In-vitro and In-vivo screening methods for RA.
靶向类风湿性关节炎(RA)中的高迁移率组框 1(HMGB1)有望减轻炎症和关节损伤。本文全面概述了针对类风湿性关节炎 HMGB1 的体外和体内筛选方法。体外检测包括细胞检测、ELISA 和 Western 印迹法,以评估 HMGB1 的释放、受体激活和下游信号通路。体内,小鼠胶原诱导性关节炎(CIA)和大鼠佐剂诱导性关节炎(AIA)等模型模拟了 RA 的发病机制,可评估 HMGB1 抑制剂的疗效、安全性和药代动力学。包括正电子发射计算机断层显像(PET)和核磁共振成像(MRI)在内的先进成像技术可以对体内 HMGB1 的表达进行无创观察。生物标志物分析可将 HMGB1 水平与疾病活动和治疗反应相关联,从而对筛选方法起到补充作用。整合这些筛查方法有助于开发 HMGB1 靶向疗法,从而有可能改变 RA 的治疗方法。在本综述中,我们提出了一些针对 RA 的体外和体内筛查方法。
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引用次数: 0
A study on the relationship between taekwondo athletes’ psychological capital and athletic achievement 跆拳道运动员心理资本与运动成绩之间关系的研究
Pub Date : 2024-07-30 DOI: 10.30574/ijsra.2024.12.2.1247
Wenpeng Zhan
The aim of this study is to investigate how psychological capital can predict athletic achievement among Taekwondo athletes. Data was collected using the psychological capital questionnaire and the athletic achievement scale through a survey of Taekwondo athletes. A total of 421 valid responses were collected with a response rate of 81.7%. The data was analyzed using SEM-PLS. The results show that the psychological capital dimensions of self-efficacy, hope, resilience, and optimism have a significant impact on the athletic achievement of Taekwondo athletes. Among these dimensions, self-efficacy has the greatest impact on athletic achievement, while optimism has the least influence. Overall, psychological capital accounts for 79.6% of the variance in athletic achievement. Based on these results, the study suggests several recommendations for future research.
本研究旨在探讨心理资本如何预测跆拳道运动员的运动成绩。通过对跆拳道运动员进行调查,使用心理资本问卷和运动成就量表收集数据。共收集到 421 份有效答卷,答卷率为 81.7%。采用 SEM-PLS 对数据进行了分析。结果表明,自我效能感、希望、抗挫力和乐观等心理资本维度对跆拳道运动员的运动成绩有显著影响。在这些维度中,自我效能感对运动成绩的影响最大,而乐观情绪的影响最小。总体而言,心理资本占运动成绩变异的 79.6%。基于这些结果,本研究为今后的研究提出了若干建议。
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引用次数: 0
A Tanzanian child with WAGR syndrome: A case report 一名患有 WAGR 综合征的坦桑尼亚儿童:病例报告
Pub Date : 2024-07-30 DOI: 10.30574/ijsra.2024.12.2.1235
Pius David Muzzazzi, Kandi Catherine Muze
WAGR syndrome is a rare genetic disorder characterized by a de novo deletion of 11p 13 (PAX6 and WT1 genes), clinically associated with Wilms’ tumor, aniridia, genitourinary anomalies, and mental retardation. It affects 1 in 500,000 to 1 million people worldwide. Wilms tumor occurs in half of the children with WAGR syndrome. We admitted 3-year-old boy who presented in our institution with the complaints of delay in development milestones and abdomen distension. On thorough examination he was found to have aniridia, Wilms tumor, undescended testis and mental retardation. The observation that aniridia is associated with Wilms tumor led us to believe that the findings were consistent with WAGR syndrome. The diagnosis was confirmed by a genetic testing that revealed loss of 17840kb within the 11p15.1p12 chromosome, confirming the diagnosis of WAGR syndrome.
WAGR 综合征是一种罕见的遗传性疾病,其特征是 11p 13(PAX6 和 WT1 基因)的从头缺失,临床上与 Wilms 肿瘤、无睾症、泌尿生殖系统异常和智力迟钝有关。全世界每 50 万至 100 万人中就有 1 人患此病。在 WAGR 综合征患儿中,半数会发生 Wilms 肿瘤。我院收治了一名 3 岁男孩,主诉发育迟缓、腹胀。经全面检查发现,他患有无睾症、Wilms 肿瘤、睾丸下降不全和智力发育迟缓。无睾丸症与 Wilms 肿瘤有关,因此我们认为他的检查结果与 WAGR 综合征一致。通过基因检测,我们发现在 11p15.1p12 染色体上有 17840kb 的缺失,从而确诊为 WAGR 综合征。
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引用次数: 0
Network protocol-driven real-time tracking radar trajectory simulation using GLG framework for test range applications 利用 GLG 框架进行网络协议驱动的实时跟踪雷达轨迹模拟,用于试验场应用
Pub Date : 2024-07-30 DOI: 10.30574/ijsra.2024.12.2.1245
Mitul Goswami, Shashwat Kumar, Sourav Kaity
This research presents an innovative approach to developing a Tracking Radar Trajectory Simulator by integrating advanced network communication protocols and the GLG toolkit framework. The simulator processes raw real-time coordinate system data, specifically in ECEF, ENV, or LLA formats, and converts this to Radar-specific requirements. It serves as a crucial tool for real-time data transmission and visualization of key parameters such as Azimuth Angle, Elevation Angle, and Range, facilitating the study and analysis of Radar trajectory dynamics. The system employs socket programming to enable seamless communication between the simulator and external devices, allowing efficient data exchange in a networked environment. Additionally, it incorporates optimized algorithms to enhance performance and reliability while reducing the time complexity of the simulation. The proposed system surpasses existing state-of-the-art models in terms of agility and performance. Through rigorous experimentation and evaluation, the effectiveness and efficiency of the proposed approach are demonstrated, highlighting its potential applications in Radar technology research and development. This research advances the field of trajectory simulation by providing a robust and scalable solution for real-time data analysis and visualization, contributing significantly to the development of more agile and high-performing tracking systems.
这项研究通过整合先进的网络通信协议和 GLG 工具包框架,提出了一种开发跟踪雷达轨迹模拟器的创新方法。模拟器处理原始实时坐标系数据,特别是 ECEF、ENV 或 LLA 格式的数据,并将其转换为雷达特定要求的数据。它是实时数据传输和方位角、仰角和射程等关键参数可视化的重要工具,有助于研究和分析雷达轨迹动态。该系统采用套接字编程方式,实现了模拟器与外部设备之间的无缝通信,可在网络环境中进行高效的数据交换。此外,该系统还采用了优化算法,以提高性能和可靠性,同时降低模拟的时间复杂性。所提出的系统在灵活性和性能方面超越了现有的先进模型。通过严格的实验和评估,证明了所提方法的有效性和效率,突出了其在雷达技术研发中的潜在应用。这项研究为实时数据分析和可视化提供了稳健、可扩展的解决方案,从而推动了轨迹模拟领域的发展,为开发更敏捷、性能更高的跟踪系统做出了重大贡献。
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引用次数: 0
A survey on machine learning system for intraductal papillary mucinous neoplasms detection 导管内乳头状黏液瘤检测机器学习系统调查
Pub Date : 2024-07-30 DOI: 10.30574/ijsra.2024.12.2.1308
Madhuri Martis, Subramanya Bhat, Sreenivasa B R
IPMN cysts, a pre-malignant risk to the pancreas, have the potential to develop into pancreatic cancer. Accurately identifying and evaluating the risk level is crucial for planning an efficient treatment strategy. However, this task is immensely challenging due to the varied and irregular shapes, textures, and sizes of IPMN cysts, as well as those of the pancreas itself. In this study, we introduce a new computer-aided diagnostic approach for classifying IPMN risk levels based on multi-contrast MRI scans. The proposed analysis framework comprises an efficient volumetric self-adapting segmentation strategy for delineating the pancreas, followed by a newly developed deep learning-based classification scheme incorporating a radiomics-based predictive approach. To evaluate the proposed decision-fusion model, we use multi-centre datasets and multi-contrast MRI scans, aiming to achieve superior performance compared to the current state of the art in this field. The ablation studies illustrate the importance of both radiomics and deep learning modules in achieving a new state-of-the-art (SOTA) performance compared to international guidelines and published studies (81.9% vs 61.3% in accuracy). These key findings carry significant implications for clinical decision-making, potentially revolutionizing the way IPMN risk levels are classified. Through a series of rigorous experiments on multi-centre datasets (involving more MRI scans from five centers), we attained unprecedented performance levels with moderate accuracy. The code will be made available upon publication.
IPMN 囊肿是胰腺恶性肿瘤的前期风险,有可能发展为胰腺癌。准确识别和评估风险水平对于规划有效的治疗策略至关重要。然而,由于 IPMN 囊肿以及胰腺本身的囊肿形状、质地和大小各不相同且不规则,因此这项任务极具挑战性。在本研究中,我们介绍了一种新的计算机辅助诊断方法,用于根据多重对比 MRI 扫描结果对 IPMN 风险等级进行分类。所提出的分析框架包括一种用于划分胰腺的高效容积自适应分割策略,以及一种新开发的基于深度学习的分类方案,该方案结合了一种基于放射组学的预测方法。为了评估所提出的决策融合模型,我们使用了多中心数据集和多对比度磁共振成像扫描,旨在实现优于该领域现有技术水平的性能。消融研究表明,与国际指南和已发表的研究相比,放射组学和深度学习模块在实现新的最先进(SOTA)性能(准确率为 81.9% 对 61.3%)方面具有重要意义。这些重要发现对临床决策具有重大意义,有可能彻底改变 IPMN 风险等级分类的方式。通过在多中心数据集(涉及来自五个中心的更多核磁共振扫描)上进行一系列严格的实验,我们获得了前所未有的性能水平和中等精度。代码将在发表后公布。
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引用次数: 0
Concept paper: Efficiency of Artificial Intelligence (AI) tools For STEM Education In Malaysia 概念文件:人工智能(AI)工具在马来西亚 STEM 教育中的效率
Pub Date : 2024-07-30 DOI: 10.30574/ijsra.2024.12.2.1273
Mohammad Aniq Bin, Mohammad Aniq, Bin Amdan, Naldo Janius, Mohd Aidil, Hazidi Bin Kasdiah
The concept paper identifies the relationship of Artificial Intelligence (AI) towards teaching and learning in STEM education. AI can really revolutionize STEM education if AI-powered tools are in place to ensure that each of the students receives personalized instructions, intelligent tutoring, and interactive simulations. Not only this, but they even grade assignments or quizzes that are submitted automatically and prove predictions with analytics to create efficiency and effectiveness in STEM pedagogy. However, there is a limited quantity of primary research regarding the actual impacts of such AI technologies. The paper will hence fill this gap by making an in-depth assessment of the application of AI tools in STEM classrooms. If strategically deployed, AI has huge potential to improve student mastery in STEM, increase learner motivation and autonomy, and allow teachers to become more personalized in their support. However, it also identifies challenges of equitable access, bias in algorithms, and wishing that the teachers have robust training programs. It thus proposes, based on the results, key recommendations that include developing ethical guidelines, investing in professional development, and designing AI systems accommodating diverse learning needs. To be precise, this research provides relevant empirical evidence and some practical guidance for education stakeholders to harness the transformative power of AI for STEM learning
这份概念文件明确了人工智能(AI)与 STEM 教育中的教与学之间的关系。如果有了人工智能驱动的工具,确保每个学生都能获得个性化指导、智能辅导和互动模拟,那么人工智能就能真正彻底改变 STEM 教育。不仅如此,它们甚至还能对自动提交的作业或测验进行评分,并通过分析来证明预测结果,从而提高 STEM 教学法的效率和效果。然而,有关此类人工智能技术实际影响的初步研究数量有限。因此,本文将通过深入评估人工智能工具在 STEM 课堂中的应用来填补这一空白。如果从战略上加以部署,人工智能在提高学生对 STEM 的掌握程度、增强学习动机和自主性以及让教师提供更加个性化的支持方面具有巨大的潜力。然而,报告也指出了在公平获取、算法偏差以及希望教师拥有强大的培训计划等方面存在的挑战。因此,研究根据结果提出了一些重要建议,包括制定道德准则、投资于专业发展以及设计适应不同学习需求的人工智能系统。确切地说,这项研究为教育利益相关者提供了相关的经验证据和一些实用指导,以利用人工智能对 STEM 学习的变革力量
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引用次数: 0
Parenting styles and ADHD severity: Leveraging AI to understand their relationship 父母的教养方式与多动症的严重程度:利用人工智能了解两者之间的关系
Pub Date : 2024-07-30 DOI: 10.30574/ijsra.2024.12.2.1181
Srishti Bhatt, Saumya Jogy, Amita Puri
The relationship between parenting styles and the severity of attention deficit hyperactivity disorder (ADHD) in children has garnered considerable attention, yet remains complex and multifaceted. This study aims to elucidate this relationship by leveraging advanced artificial intelligence (AI) techniques to analyse a comprehensive dataset of parenting behaviours and ADHD symptomatology. Utilizing machine learning algorithms, we classified parenting styles into authoritative, authoritarian, permissive, and uninvolved categories based on standardized questionnaires. Simultaneously, ADHD severity was quantified using clinically validated scales. The AI-driven analysis revealed significant correlations between specific parenting styles and ADHD severity, with authoritative parenting showing a negative correlation, suggesting a potential mitigating effect on ADHD symptoms. Conversely, authoritarian and permissive styles were positively correlated with higher ADHD severity, indicating potential exacerbation of symptoms. Uninvolved parenting showed the weakest correlation, yet still highlighted notable impacts. Additionally, AI models identified nuanced patterns and interactions between various parenting practices and ADHD characteristics that traditional statistical methods might overlook. These findings underscore the critical role of adaptive parenting strategies in managing ADHD and highlight the potential of AI to uncover intricate behavioural patterns, offering novel insights for clinicians and researchers. The study advocates for the integration of AI in psychological and behavioural research to enhance the understanding of complex developmental disorders and improve intervention strategies. This approach not only deepens our comprehension of ADHD and its environmental influencers but also sets a precedent for future research utilizing AI to explore psychological phenomena.
养育方式与儿童注意力缺陷多动障碍(ADHD)严重程度之间的关系引起了广泛关注,但这一关系仍然复杂而多面。本研究旨在利用先进的人工智能(AI)技术来分析育儿行为和多动症症状的综合数据集,从而阐明这种关系。利用机器学习算法,我们根据标准化问卷将养育方式分为权威型、专制型、放任型和不参与型。同时,我们还使用经临床验证的量表对多动症的严重程度进行了量化。人工智能驱动的分析表明,特定的养育方式与多动症严重程度之间存在显著的相关性,其中权威型养育方式与多动症严重程度呈负相关,这表明权威型养育方式对多动症症状有潜在的缓解作用。相反,专制和放任的教养方式与多动症的严重程度呈正相关,表明可能会加重症状。无人参与的养育方式显示出最弱的相关性,但仍凸显出显著的影响。此外,人工智能模型还发现了传统统计方法可能忽略的各种养育方式与多动症特征之间的细微模式和相互作用。这些发现强调了适应性养育策略在多动症管理中的关键作用,并突出了人工智能发现复杂行为模式的潜力,为临床医生和研究人员提供了新的见解。这项研究提倡将人工智能融入心理和行为研究,以加深对复杂发育障碍的理解并改进干预策略。这种方法不仅加深了我们对多动症及其环境影响因素的理解,还为未来利用人工智能探索心理现象的研究开创了先例。
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引用次数: 0
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