One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening by James Wellnitz, Sankalp Jain, Joshua E. Hochuli, Travis Maxfield, Eugene N. Muratov, Alexander Tropsha, Alexey V. Zakharov

“…For this increasingly common task, we now recommend the use of models with the highest positive predictive value (PPV) built on imbalanced training sets as preferred virtual screening tools. This recommendation stems from practical considerations of how the results of virtual screening are used in experimental laboratories where only a small fraction of virtually screened molecules can be tested using standard well plates. …”
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Flood Risk Assessment and Zoning for Niamey and Lokoja Metropolises in Niger and Nigeria by Youssoufa Doulla Nouhou, Martins Yusuf Otache, Salamatou Abdourahamane Illiassou, Olasunkanmi Habeeb Okunola, Appollonia Aimiosino Okhimamhe, Thanh Thi Nguyen

“…Given the current prevalence of extreme weather events in West Africa, it is crucial to employ effective tools to mitigate their adverse impacts. This research will assist decision-makers in quantifying the spatial vulnerability of flood-prone areas and developing effective flood risk assessment and mitigation strategies in the region.…”
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Deep learning-based thermal modeling of slipping velocity in oblique magnetohydrodynamic non-Newtonian nanofluid flows by Nek Muhammad Katbar, Hina Zahir, Kamel Guedri, Basim M. Makhdoum, Siti Suzilliana Putri Mohamed Isa, Syed M. Hussain, Abbas Khan

“…In recent years, artificial neural networks (ANNs) have emerged as reliable and efficient computational tools for solving highly nonlinear and complex mathematical models in fluid dynamics. …”
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Analysis of methods for modeling operating modes of compressor equipment that ensures the operation of field low-temperature separation units by M. A. Vorontsov, V. Yu. Glazunov, A. S. Grachev, M. S. Mashtalir, S. A. Pospelov, A. V. Chernyshev

“…Ensuring promising operating modes of booster compressor stations with high efficiency is an urgent task. Method. One of the tools for solving this problem is mathematical modeling of the operating modes of centrifugal compressors (hereinafter - CPC), which are part of gas pumping units (GPU). …”
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An operational workflow for documenting and communicating architectural heritage: from survey to 3D printing by Adriana Marra, Luca Vespasiano

“…<p>Digital surveying and rapid prototyping techniques are important tools to support processes related to cultural and architectural heritage. …”
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Modelling the future of cleaner energy: Explainable artificial intelligence model for green hydrogen production rate estimation by Okorie Ekwe Agwu, Saad Alatefi, Ahmad Alkouh

“…However, the complex dynamics associated with the process requires predictive tools for large-scale deployment. Despite advancements in machine learning-based models, previous studies often lack explainability, diminishing user trust in their deployment. …”
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A study on the advancement of building energy simulations: Utilizing ChatGPT to enhance occupancy rate predictions and sustainability outcomes by Jae-Woo Lee, Kyung-Soon Park, Yong-Joon Jun, Seon-Hye Eom

“…Various methods and tools have been developed to collect accurate occupant data, but they often face significant challenges in terms of time and cost. …”
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Creating a prediction model for invasive candidiasis in the intensive care unit using a case control design: a European multicentre approach by P. M. B. Benders, J. Schouten, A. Vena, J. B. Buil, E. Bronkhorst, M. Bassetti

“…Abstract Purpose Invasive candidiasis (IC) has a high attributable morbidity and mortality in patients in the intensive care unit (ICU). Current diagnostic tools lack sensitivity, introduce delay or have not been validated for regular use. …”
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Multi-objective Bayesian optimization of eco-friendly gas mixtures for resistive plate chambers by Pit Bechtold, Dario Stocco, Christian M Franck

“…This work fills a research gap by applying advanced optimization tools, specifically BO, to challenges in gaseous detectors, gas insulation systems and electrical engineering: An approach that is not commonly used in the field. …”
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Τhe Political Economy of Green Transition: The Need for a Two-Pronged Approach to Address Climate Change and the Necessity of “Science Citizens” by Antonios Angelakis, Manolis Manioudis, Anthi Koskina

“…Thus, this paper provides evidence for the need to incorporate “science citizens” as a key parameter into the technology and innovation chain (e.g., data provision) and the public policy domain. …”
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Extracting fluorescent reporter time courses of cell lineages from high-throughput microscopy at low temporal resolution. by Mike J Downey, Danuta M Jeziorska, Sascha Ott, T Katherine Tamai, Georgy Koentges, Keith W Vance, Till Bretschneider

“…Based on the MTrackJ plugin for ImageJ, we have developed tools to efficiently validate tracks and manually correct them by connecting broken trajectories and reassigning falsely connected cell positions. …”
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Exploring Seasonality Indices for Low-Flow Analysis on Tibagi Watershed (Brazil) by Alexandre Sokoloski de Azevedo Delduque de Macedo, Michael Männich

“…Spatial analysis reveals varied patterns with a certain trend of increased seasonality intensity (parameter <i>r</i>) towards downstream (north) and as the watershed area increases. …”
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The path-label reconciliation (PLR) dissimilarity measure for gene trees by Alitzel López Sánchez, José Antonio Ramírez-Rafael, Alejandro Flores-Lamas, Maribel Hernández-Rosales, Manuel Lafond

“…Future research will refine its mathematical properties, explore its performance on different types of trees, and integrate it with existing bioinformatics tools for large-scale evolutionary analyses. The implementation of the PLR distance is available in the open-source PyPI package parle: https://pypi.org/project/parle/ .…”
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An innovative full-size pathogenic tandem duplication mutation precise detection system based on next-generation sequencing by Li-Li Zhang, Zhe Wang, Ying Zhou, Dai-Yang Li, Xiao-Nian Tu, Yu-Xia Li, Ke-Ming Du, Zhong-Zheng Zheng

“…Accurate identifying internal tandem duplication (ITD) mutation is indispensable for diagnosis and prognosis of acute myeloid leukemia (AML) patients, but specialized full-size detection tools are lacking. Therefore, we aimed to develop a reliable system for accurate assessment of ITD mutations of various size ranges and improve prognosis for AML. …”
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A Novel Hybrid Metaheuristic MPA-PSO to Optimize the Properties of Viscous Dampers by Elmira Shemshaki, Mohammad Hasan Haddad, Mohammadreza Mashayekhi, Seyyed Meisam Aghajanzadeh, Ali Majdi, Ehsan Noroozinejad Farsangi

“…Nonlinear viscous dampers are known as one of the effective tools for absorbing and dissipating earthquake energy to reduce structural responses. …”
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TARGET AND SYSTEM ASPECTS OF THE TRANSPORT INFRASTRUCTURE DEVELOPMENT PROGRAM by Alina Yelizyeva, Roman Artiukh, Elena Persiyanova

“…Conclusions: The analysis of the research subject revealed that the issues related to the choice of system concept and methodological tools for the formation of distributed logistics infrastructure remain unsettled, and the problems of transport infrastructure of Ukraine are highlighted. …”
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AI bot to detect fake COVID‐19 vaccine certificate by Muhammad Arif, Shermin Shamsudheen, F Ajesh, Guojun Wang, Jianer Chen

“…But others create their own forged vaccine certificate using advanced software and digital tools which will create complex problems where we cannot distinguish between real and fake vaccine certificates. …”
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Identification indexes and diagrams for natural gas origin: Connotation, significance and application by Ping’an PENG, Dujie HOU, TENGER, Yunyan NI, Deyu GONG, Xiaoqi WU, Ziqi FENG, Guoyi HU, Shipeng HUANG, Cong YU, Fengrong LIAO

“…We evaluate the applicability and innovation of these tools in distinguishing between oil-type gas, coal-derived gas, microbial gas, and abiogenic gas, as well as in identifying mixed-source gases and multi-stage charging systems. …”
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Computational analysis of Annona muricata phytochemicals for targeted modulation of endocrine networks in polycystic ovary syndrome by Babatunji Emmanuel Oyinloye, Oluwaseun Emmanuel Agboola, Aderonke Moyosola Ayeni, Oluwatoyin Mary Oyinloye, Samuel Sunday Agboola, Olajumoke Tolulope Idowu, Makhosazana Siduduzile Mathenjwa-Goqo, Olutunmise Victoria Owolabi, Bolajoko Idiat Ogunyinka, Foluso Oluwagbemiga Osunsanmi, Basiru Olaitan Ajiboye, Olaposi Idowu Omotuyi

“…Over 50% of phytochemicals from Annona muricata were predicted to have binding affinities comparable to reference compounds. Docking and multi-parameter modeling using AutoDock Tools ranked the ligands, identified multi-target active compounds across all three receptors, and analyzed ligand interactions for the multiplex selected two compounds. …”
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Variation of nano-ZnO/SBR modified asphalt features under photo-oxidative aging and optimization of the evaluation indexes based on rheological properties and chemical structure by Shengqian Zhao, Qinglong You, Jianming Ling, Jiake Zhang, Ekeoma Bridget Chineche, Jiaxing Wang

“…Subsequently, the aging evolution behavior of the asphalt binder was characterized at chemical-rheological scales using macro- and micro-testing tools. Then, mathematical statistics and Pearson correlation coefficients were used to optimize the evaluation indices and correlation analysis. …”
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