Mathematical and Artificial Intelligence Techniques in Modern Drug Discovery: A Review.

Background Histological remission is an important target for Ulcerative Colitis (UC) treatment; however, scoring of histological images is time-consuming and prone to inter and intra-observer variability. Thus, a need exists for an accurate, reproducible, and reliable automated method. Previously, we demonstrated an Artificial Intelligence (AI) Tool using image processing and machine learning algorithms to measure histological disease activity using the Nancy index consistently and accurately.1 Here, we aim to enhance the capabilities of the AI Tool, by adding substantially more population-diversified training data while maintaining accuracy and robustness of results. Methods Eight global sites submitted 600 UC histological images. These were added to the 200 images previously used to train and validate the AI Tool. The 800-image dataset was divided into 2 groups: 90% used for training, 10% for testing. The novel AI algorithms were trained using state-of-the-art image processing and machine learning techniques based on deep learning and feature extraction. Cell and tissue regions of each training image were manually annotated, measured, and assigned a Nancy Index independently by 3 histopathologists, and used to further train the AI using over 43,000 characterisations. The AI Tool fully characterises histological images, identifying tissue types, cell types, cell numbers and locations, and automatically measures the Nancy Index for each image. Intra Class Correlation (ICC) and Confusion Matrix analyses were performed to evaluate the AI Tool and assess accuracy. Results The average ICC was 92.1% among the histopathologists and 91.1% between histopathologists and AI Tool, compared with 88.3% and 87.2% in the previous study.1 Confusion matrix analysis (Table 1) demonstrated the strongest correlation at the extremes of the Nancy Index, with 80% correlation between predicted and true labels for Nancy Scores of 0 or 4. When 2 adjacent scores were combined, correlations were stronger: 96% for a true Nancy score of 0 being predicted as 0 or 1, and 100% for a true Nancy score of 2 being predicted as 2 or 3. Conclusion By adding a larger number of images to the AI Tool training data, the robustness of the AI Tool was substantially improved while maintaining accuracy. The continued high correlation of AI Tool performance with the histopathologists reinforces the potential role for the AI Tool for IBD clinical applications. Fully characterising whole slides could standardise and validate an AI-driven scoring system for histology slides in IBD, eliminating the subjectivity of the human pathologist in assessment of disease activity.

Artificial intelligence (AI) has become a significantly growing field in the environmental sector due to its ability to solve problems, make decisions, and recognize patterns. The significance of AI in wildlife acoustic monitoring is particularly important because of the vast amounts of data that are available in this field, which can be leveraged for computer vision and interpretation. Despite the increasing use of AI in wildlife ecology, its future in acoustic wildlife monitoring remains uncertain. To assess its potential and identify future needs, a scientific literature review was conducted on 54 works published between 2015 and March 2022. The results of the review showed a significant rise in the utilization of AI techniques in wildlife acoustic monitoring over this period, with birds (N = 26) gaining the most popularity, followed by mammals (N = 12). The most commonly used AI algorithm in this field was Convolutional Neural Network, which was found to be more accurate and beneficial than previous categorization methods in acoustic wildlife monitoring. This highlights the potential for AI to play a crucial role in advancing our understanding of wildlife populations and ecosystems. However, the results also show that there are still gaps in our understanding of the use of AI in wildlife acoustic monitoring. Further examination of previously used AI algorithms in bioacoustics research can help researchers better understand patterns and identify areas for improvement in autonomous wildlife monitoring. In conclusion, the use of AI in wildlife acoustic monitoring is a rapidly growing field with a lot of potential. While significant progress has been made in recent years, there is still much to be done to fully realize the potential of AI in this field. Further research is needed to better understand the limitations and opportunities of AI in wildlife acoustic monitoring, and to develop new algorithms that can improve the accuracy and usefulness of this technology.

This scoping review examines the integration of artificial intelligence (AI) tools into scientific education practices in school settings. Following the PRISMA statement guidelines, a literature search was conducted in the Web of Science and Scopus databases, identifying 2892 articles published between 2020 and 2024. After applying the eligibility criteria, 75 primary studies with empirical data demonstrating the outcomes of school‐based scientific practices using AI tools were selected. The studies were coded based on the type of AI, the type of scientific practice, AI competencies, and other contextual and pedagogical aspects. The results indicate that the most frequently used tools by students are computer vision, natural language processing and data mining. Most studies focus on secondary education levels, combining strategies such as project‐based learning, scientific inquiry and the STEM approach. Although the evidence suggests that these tools enhance scientific skills like data interpretation and computational thinking, limitations were identified, including the use of low‐reliability or paid software and a lack of representation of ethical competencies. Finally, the review highlights the need to strengthen interdisciplinary collaboration and the design of curricular programmes that integrate AI through an ethical framework. The findings are discussed to provide guidance for pedagogy, public policies and future research. Context and implications Rationale for this study: This study was conducted to examine current evidence on how AI tools are being integrated into K‐12 scientific practices. Why the new findings matter: The findings presented are relevant for analysing current trends, identifying research gaps and exploring opportunities to update interdisciplinary pedagogical frameworks and digital literacy curriculum policies. Implications for educational practitioners, policy makers and researchers: For education practitioners, this study provides a planning model with practical examples for integrating AI into K‐12 scientific practices. For policy makers, it highlights the urgency of updating curricular frameworks and public education policies to ensure equitable access to trustworthy technologies, as well as initial and ongoing teacher training in AI, while fostering interdisciplinary collaboration, particularly between science and mathematics. For researchers, there is a clear need to expand empirical studies that examine scientific practices in virtual and hybrid modalities, in underexplored levels such as elementary education, and that take into account ethical competencies in the use of AI.

This study aims to examine the impact of Artificial Intelligence (AI) tools—namely Predictive Analytics (PA), Optimization Algorithms (OA), and Natural Language Processing (NLP)—on cost management practices in Egyptian companies. It contributes to the growing body of literature that includes AI in cost management for developing economies.A quantitative approach was adopted using a structured questionnaire. There were 200 valid responses collected from manufacturing, service, and ICT sectors, throughout the data analysis of the three AI tools. Notes, descriptive statistics, Pearson correlation, simple and multiple regressions, and ANOVA were employed to examine the impact of the individual and integrated AI tools on the three dependent variables of efficiency, decision making, and cost reduction.The study empirically found that each of the three contingent AI tools (PA, OA, and NLP) individually have a statistically significant positive impact on cost management performance indicators. One of the key findings that has not been addressed in previous is that the integrated model which includes all three tools had the highest explanatory power, accounting for up to 62% of the variance in decision-making and cost reduction outcomes. This study is one of the first empirical examinations about the integration of multiple AI tools into a cost management model, especially in the context of a developing country. It presents a fully functional and reliable AI-based cost management framework and therefore increases both the theoretical and geographical scope of existing literature, as well as implications for organizations embarking on digital transformation within cost management.

Background: Trastuzumab deruxtecan has substantially changed the treatment of HER2-low breast cancer, emphasizing the need for accurate differentiation between HER2 immunohistochemistry (IHC) scores of 0 and 1+. However, the current accuracy of HER2 IHC 0 and 1+ scoring in real-world is inadequate. Artificial intelligence (AI) has emerged as a potential solution to improve interpretation accuracy. We developed an AI algorithm based on whole slide images (WSI) to quantitatively assess HER2 expression and its role in interpreting HER2 IHC scores of 0 and 1+. Methods: Our three-phase AI analysis framework involved segmenting tumor areas (excluding ductal carcinoma in situ), detecting and classifying tumor cells based on membrane staining patterns, and grading HER2 IHC scores according to the 2018 ASCO/CAP HER2 guideline. The AI tool was trained using 6012 patches annotated by experienced pathologists. Performance evaluation was conducted using a test dataset comprising 265 slides. A total of 141 HER2 IHC slides (27 IHC 0 and 114 IHC 1+) from patients diagnosed with invasive breast cancer at Fudan University Shanghai Cancer Center in 2021 were included. Two pretrained expert pathologists independently rescored the HER2 slides, followed by analysis using the AI tool. All inconsistent cases were also reviewed by a third senior pathologist. Interobserver agreement between the pathologists and concordance between the pathologists and the AI interpretation results were assessed. We also explored potential ranges where HER2 interpretation by pathologists exhibited inconsistency or inaccuracy. Results: The HER2 AI algorithm showed high performance in interpreting all levels of HER2 expression, with an overall kappa value of 0.85. For HER2 IHC 0 and 1+ cases, the AI model demonstrated high sensitivities (0.839 and 0.914) and specificities (0.983 and 0.890) (Table 1). After the rescoring process, 51 cases were reclassified as IHC 0 and 90 cases as IHC 1+. The overall agreement rate between the historical and re-scoring results was 73.05% (103/141). The agreement rate between the AI and re-scoring results was 91.49% (129/141) (Table 2), indicating comparable interpretation capabilities between the AI model and well-trained pathologists. The interobserver agreement between the two pathologists was 83.69% (118/141), with agreement rates of 88.23% (45/51) for IHC 0 and 81.11% (73/90) for IHC 1+. Analyzing the inconsistent cases (n=12) between IHC 0 and IHC 1+, we examined the percentage of weak and incomplete expression provided by the AI. In 9 out of 12 cases, the AI provided the same results as the third senior pathologist, suggesting that AI could assist in interpretation within this range. We identified a range of 2.83% to 24.98% as a "grey-zone," where even well-trained pathologists provided inconsistent results. Conclusion: Our study demonstrates the excellent performance of an AI-based tool for scoring HER2 IHC 0 and 1+. The AI model exhibits comparable capabilities to well-trained pathologists in interpreting HER2 expression. Additionally, we identified a "grey-zone" among pathologists, highlighting the limitations of manual subjective interpretation. AI assistance within this zone may help mitigate subjective variations. Table 1. Correlation between pathologist read and AI read of HER2 immunohistochemistry. Table 2. Correlation between pathologist rescoring and AI read of HER2 immunohistochemistry. Citation Format: Ming Li, Hong Lv, Yizhi Zhao, Chenglu Zhu, Hansheng Li, Mingzhen Lin, Wen-Tao Yang. The Advantage of Artificial-Intelligence in HER2 IHC 0 and 1+ Scoring in Breast Cancer [abstract]. In: Proceedings of the 2023 San Antonio Breast Cancer Symposium; 2023 Dec 5-9; San Antonio, TX. Philadelphia (PA): AACR; Cancer Res 2024;84(9 Suppl):Abstract nr PO4-26-09.

In this era, the biometric system plays a very important role in the various fields to protect and secure the important information or data of every individual. So that it verifies the authenticated user to access the information. There are some commonly used biometric system in real-time that are Fingerprint recognition, Facial recognition, Iris recognition, and Palm vein recognition. Based on the compatibility these biometric systems are used in various applications such as are used in a cell phone or mobiles, banking sector, government offices, and so on. Artificial intelligence technique is used to provide the best feature or characteristic part of the individual for the identification and recognition purpose and to reduce the system complexity. Artificial intelligence is used to provide efficient and proper identification of the individual using peculiar characteristics. Artificial intelligence techniques are used in the different biometric system for efficient, security, and privacy purposes. So that an only authenticated person will have access to his/her data. The different methodology or algorithm of artificial intelligence are used in the biometric system are explained in detail description.

Purpose: This analysis aims to propose guidelines for artificial intelligence (AI) research ethics in scientific publications, intending to inform publishers and academic institutional policies in order to guide them toward a coherent and consistent approach to AI research ethics.Methods: A literature-based thematic analysis was conducted. The study reviewed the publication policies of the top 10 journal publishers addressing the use of AI in scholarly publications as of October 2024. Thematic analysis using Atlas.ti identified themes and subthemes across the documents, which were consolidated into proposed research ethics guidelines for using generative AI and AI-assisted tools in scholarly publications.Results: The analysis revealed inconsistencies among publishers’ policies on AI use in research and publications. AI-assisted tools for grammar and formatting are generally accepted, but positions vary regarding generative AI tools used in pre-writing and research methods. Key themes identified include author accountability, human oversight, recognized and unrecognized uses of AI tools, and the necessity for transparency in disclosing AI usage. All publishers agree that AI tools cannot be listed as authors. Concerns involve biases, quality and reliability issues, compliance with intellectual property rights, and limitations of AI detection tools.Conclusion: The article highlights the significant knowledge gap and inconsistencies in guidelines for AI use in scientific research. There is an urgent need for unified ethical standards, and guidelines are proposed for distinguishing between the accepted use of AI-assisted tools and the cautious use of generative AI tools.

This chapter emphasizes the importance of artificial intelligence (AI) tools, analysis about the existing AI tools, and recommendations for future AI tools for women's safety. AI is experiencing significant growth and influence in the current era. Several key trends and developments highlight the role of AI in various domains: AI is being used for medical diagnosis, drug discovery, and patient care. Machine learning models are helping doctors analyse medical images, predict disease outcomes, and personalize treatment plans. Self-driving cars and drones are utilizing AI algorithms for navigation, obstacle detection, and decision-making. These technologies are advancing transportation and logistics. Natural language processing models like GPT-3 are transforming language-related tasks, from chatbots and virtual assistants to content generation, translation, and sentiment analysis. This chapter highlights the AI tools that exist for women's safety in the digital world and future apps needs for the same.

Artificial intelligence (AI) tools and techniques are undoubtedly being used in bioinformatics education, reflecting broader trends in education. However, many instructors and learners may be unaware of the full scope of potential uses for these tools within bioinformatics education, as well as effective practices for using them. Building on discussions held at the 6th Global Bioinformatics Education Summit, this perspective article provides insights about ways that AI might be used to generate or adapt instructional content, provide personalized help for learners, and automate assessment and grading. Additionally, we highlight AI skills that are important for bioinformatics learners to develop in order to effectively use AI as a bioinformatics learning tool. We highlight currently available tools in the quickly evolving AI landscape and suggest ways that instructors or learners might use such tools. Furthermore, we discuss key considerations and challenges associated with integrating AI into bioinformatics education, including ethical implications, potential biases, and the need to critically evaluate AI-generated content. Finally, we highlight the need for further research to better understand how AI tools are being used in practice and empower their effective and responsible use in bioinformatics education.

Artificial Intelligence (AI) is emerging as a transformative force in both drug development and orthodontics. This paper provides an overview of key AI techniques employed in these fields. In drug development, AI is accelerating discovery, development, and delivery through generative models, predictive modeling, image analysis, and natural language processing. Orthodontics benefits from AI through image analysis, treatment planning, and patient experience enhancement. Common AI techniques in both domains include machine learning, deep learning, natural language processing, and computer vision. By leveraging these technologies, researchers and clinicians can achieve significant advancements in drug discovery, treatment efficacy, and patient care.

The paper presents the results of the research study conducted on students at the Faculty of Humanities and Social Sciences in Zagreb (FHSS), Croatia, at the end of 2024, focusing on their experiences with artificial intelligence (AI) tools, and its use in academic activities, students' trust in AI, and the future use of AI by students. While over 81 % of respondents reported using AI tools for study purposes, more than 89% did not receive any education about AI and expressed a need for such education. Generative AI tools for text creation are the most frequently used type of AI tools, but students still require additional knowledge to use them effectively. AI tools are also utilized for seeking advice, finding information, being available 24/7, and assisting in writing student papers, though not yet on a massive scale. Teachers remain the most trusted source for information and for recommending AI tools. Despite known shortcomings of AI tools such as content errors, potential costs and ethical or privacy concerns, students expressed their intention to continue using AI tools in the future.

This paper discusses the integration of artificial intelligence (AI) tools in education, delineating their potential to transform pedagogical practices alongside the challenges they present. Generative AI models like ChatGPT, had a disruptive impact on teaching and learning, due to their ability to create text, images, and sound, revolutionizing educational content creation and modification. However, nowadays the educational community is polarized, with some embracing AI for its accessibility and efficiency thus advocating it as an indispensable tool, while others cautioning against risks to academic integrity and intellectual development. This document is designed to raise awareness about AI tools and provide some examples of how they can be used to improve education and learning. From an educator’s perspective, AI is an asset for curriculum development, course material preparation, instructional design and student assessment, while reducing bias and workload. For students, AI tools offer personalized learning experiences, timely feedback, and support in various academic activities. The Turkish Biochemical Society (TBS) Academy recommends educators to embrace and utilize AI tools to enhance educational processes, and engage in peer learning for better adaptation while maintaining a critical perspective on their utility and limitations. The transfer of AI knowledge and methods to the teaching experiences should complement and not replace the educator’s creativity and critical thinking. The paper advocates for an informed embrace of AI, AI fluency among educators and students, ethical application of AI in academic settings, and continuous engagement with the evolving AI technologies, ensuring that AI tools are used to augment critical thinking and contribute positively to education and society.

Nowadays, IT systems rely mainly on artificial intelligence (AI) algorithms to process data. AI is generally used to extract knowledge from stored information and, depending on the nature of data, it may be necessary to apply different AI algorithms. In this article, a novel perspective on the use of AI to ensure the cybersecurity through the study of network traffic is presented. This is done through the construction of a two-stage cyberattack classification ensemble model addressing class imbalance following a one-vs-rest (OvR) approach. With the growing trend of cyberattacks, it is essential to implement techniques that ensure legitimate access to information. To address this issue, this work proposes a network traffic classification system for different categories based on several AI techniques. In the first task, binary models are generated to clearly differentiate each type of traffic from the rest. With binary models generated, an ensemble model is developed in two phases, which allows the separation of legitimate and illegitimate traffic (phase 1) while also identifying the type of illegitimate traffic (phase 2). In this way, the proposed system allows a complete multiclass classification of network traffic. The estimation of global performance is done using a modern dataset (UNSW-NB15), evaluated using two approaches and compared with other state-of-art works. Our proposal, based on the construction of a two-step model, reaches an F1 of 0.912 for the first level of binary classification and 0.7754 for the multiclass classification. These results show that the proposed system outperforms other state-of-the-art approaches (+0.75% and +3.54% for binary and multiclass classification, respectively) in terms of F1, as demonstrated through comparison together with other relevant classification metrics.

The integration of Artificial Intelligence (AI) technologies into healthcare is revolutionising early diagnostic processes for diseases, also for CRC, enhancing both the effectiveness and efficiency of traditional diagnostic methods (4).Fortunately, early detection of CRC increases the 5-year survival rate from 18% when detected at the most advanced stage to 88.5% when detected at an early symptomatic stage (5). Screening programs are implemented for such early detection, as tumours detected in symptomatic patients are larger and at more advanced stages than tumours detected in asymptomatic patients in a screening programme (6). Thus, the detection of colorectal cancer is critical yet challenging, often requiring operatordependant endoscopic procedures, followed by accurate histological assessment of tissue biopsies. AI offers promising enhancements to these traditional methods, providing tools that are less invasive, more accurate, faster, and consistent.In the field of CRC, AI can be applied to different stages of the process, since evaluation of the bowel preparation, before the colonoscopy itself, to histopathology classification, once the lesion has been removed (Figure 1). Following tissue retrieval, Yuan et al. demonstrate an AI algorithm developed through transfer learning from a polyp segmentation model. This localises colorectal cancer regions within precise grids on whole slide imaging (WSI). The method boasts high sensitivity and specificity, and addresses challenges related to AI use and applicability, by accurately labelling cancer presence in histological slides, thus demonstrating reliability and efficacy in histology applications.Regarding to post-colonoscopy stage, Doğan et al. present a study that evaluates the role of artificial intelligence in histopathological image analysis, notably using convolutional neural networks (CNNs) for classifying diverse tissue types within digital pathology. By comparing AI-based algorithms against manual machine learning models, the research demonstrates the superior performance of CNNs in both binary and multi-class classifications of tissues, achieving accuracies of 0.91 and 0.97, respectively. Utilizing over 100,000 images for training and 7,180 for testing, the study highlights AI's potential to enhance diagnostic accuracy and efficiency in identifying tumour tissues and other types, marking a significant advancement over traditional methods.These studies demonstrate how AI can significantly enhance diagnostic accuracy and efficiency in clinical settings. However, integrating AI tools into healthcare systems will further involve overcoming challenges related to ethical and societal implications, workflow integration and interoperability or interpretability (7).Addressing integration challenges and expanding research to include diverse, multicentre trials will be crucial. This will help validate AI tools' efficacy and safety in real-world settings, ensuring AI tools meet the diverse needs of global populations.The emergence of AI in early CRC diagnosis signifies a significant advance toward more proactive, individualised, and minimally invasive healthcare. Continued research and development are essential to harness the full potential of AI, promising to transform CRC diagnosis and improve patient outcomes and experience.

Will ChatGPT undermine ethical values in nursing education, research, and practice?