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Relevant bibliographies by topics / Predictor of Malaria

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Academic literature on the topic 'Predictor of Malaria'

Author: Grafiati

Published: 3 June 2025

Last updated: 31 July 2025

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Journal articles on the topic "Predictor of Malaria"

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Sineke, Mohammad F. D., Suryadi N. N. Tatura, and Novie H. Rampengan. "Faktor-faktor Prediktor Luaran Malaria Berat pada Anak." Medical Scope Journal 5, no. 2 (2023): 188–97. http://dx.doi.org/10.35790/msj.v5i2.45486.

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Abstract: Symptoms and severity of malaria infection differ between adults and children. Severe malaria is more common in children than in adults. Severe malaria cases in children can give clinical manifestations that are more fatal, severe and even death. This study aimed to determine the predictor factors of severe malaria outcomes in children. This was a literature review study using Google Scholar database. The results obtained 11 articles that met the inclusion and exclusion criteria. It was found that the clinical form and/or complications of severe malaria, co-infection and severe acute

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Omale, Ugwu I., Benedict N. Azuogu, Adaoha P. Agu, and Edmund N. Ossai. "Use of malaria rapid diagnostic test and anti-malarial drug prescription practices among primary healthcare workers in Ebonyi state, Nigeria: An analytical cross-sectional study." PLOS ONE 19, no. 6 (2024): e0304600. http://dx.doi.org/10.1371/journal.pone.0304600.

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Background The recommendation of universal diagnostic testing before malaria treatment aimed to address the problem of over-treatment with artemisinin-based combination therapy and the heightened risk of selection pressure and drug resistance and the use of malaria rapid diagnostic test (MRDT) was a key strategy, particularly among primary healthcare (PHC) workers whose access to and use of other forms of diagnostic testing were virtually absent. However, the use of MRDT can only remedy over-treatment when health workers respond appropriately to negative MRDT results by not prescribing anti-ma

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Vemula, Sachin, Vidyalakshmi Katara, Unnikrishnan Bhaskaran, Sushma Adappa, and Mahabala Chakrapani. "Pretreatment elevated erythrocyte sedimentation rate and C-reactive protein as a predictor of malarial complications." Journal of Infection in Developing Countries 10, no. 12 (2016): 1332–37. http://dx.doi.org/10.3855/jidc.8053.

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Introduction: Complications of malaria can develop suddenly and unexpectedly. Although various parameters have been associated with severity of malaria, they have not been studied as predictors of these events. Many of the malarial complications are inflammatory in nature, and C-reactive protein (CRP) and elevated erythrocyte sedimentation rate (ESR) could be early markers of these complications and might precede and predict the development of complications. Methodology: A total of 122 inpatients with uncomplicated newly diagnosed malaria were studied. CRP, ESR, hemoglobin, and platelets were

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Akshay, Louis Dias, and D. Sumanth. "Usefulness of Various Peripheral Blood Leukocyte Count ratios in Malaria Evaluation." International Journal of Health Sciences and Pharmacy (IJHSP) 1, no. 2 (2017): 52–60. https://doi.org/10.5281/zenodo.1043523.

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Malaria is a major public health problem in India. Changes in blood cell counts are a well-known feature of malaria. Hence an attempt has been made to assess the role of leucocyte ratios in malaria as predictors of malaria infection and its clinical severity. <strong>Methods:</strong> A retrospective observational cohort study was carried out in a tertiary care teaching hospital over a period of 2 months. A total of 171 samples and 48 controls were included in the study. All the absolute and differential white blood cell counts were done. The neutrophil-lymphocyte count ratio (NLCR), monocyte-

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Sulistyaningsih, Erma, Rosita Dewi, Sheilla Rachmania, Irawan Fajar Kusuma, and Sahrir Sillehu. "Specific Sequence Motif of Var Gene as Predictor of Malaria Outcome." Elkawnie 10, no. 1 (2024): 52. http://dx.doi.org/10.22373/ekw.v10i1.14808.

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Abstract: The Var gene family encodes for Plasmodium falciparum Erythrocyte Membrane Protein-1 (PfEMP1), a protein responsible for malaria pathogenesis. One of the variants, the var D gene, is hypothesized as a predictor of clinical malaria outcomes. The study aimed to investigate the association between the expression of the var D gene and clinical malaria outcomes. Blood spots on filter paper from uncomplicated and severe malaria patients were collected for DNA and RNA extraction. The RNA was reverse-transcribed into cDNA. DNA and cDNA were amplified by Polymerase Chain Reaction (PCR) techni

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Jagannadham, Rajendraprasad, Sridhar Reddy K., Ashalata Tammineni, B.V.S. Kartheek, and V.Lalitha. "To Study the Significance of Hematological Parameters in Differentiating Malaria and Non-Malarial Acute Febrile Illness in a Tertiary Care Hospital in Visakhapatnam." International Journal of Pharmaceutical and Clinical Research 16, no. 1 (2024): 551–55. https://doi.org/10.5281/zenodo.11099110.

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<strong>Background:</strong> Malaria is a common infectious disease and rarely can be life threatening if not treated properly. It is one of the major health problems in most populated areas of world [1] and an important cause of acute febrile illness in India. According to WHO’s latest world Malaria report, there were an estimated 249 million malaria cases in 2022 in 85 malaria endemic countries, increasing from 224 million in 2021. <strong>Method:</strong> The study was an observational study carried out in King George Hospital (KGH) Visakhapatnam. The study population w

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Pikatan, Orlando, Ellen Ferlita Tirtana, Kezia Seraphine, and Wienta Diarsvitri. "BIOMARKERS AND PROGNOSTIC SCORING IN CEREBRAL MALARIA." MNJ (Malang Neurology Journal) 8, no. 2 (2022): 140–43. http://dx.doi.org/10.21776/ub.mnj.2022.008.02.13.

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Malaria remains a public health concern and remain the deadliest in infectious disease in the world. Cerebral malaria is a particularly severe complication of this disease and associated with high mortality. This literature review is made up from 19 literatures consisting of journals, and book. The literature review used data base www.pubmed.com, and www.scholar.google.com using “cerebral malaria and biomarker, predictor of cerebral malaria and treatment of severe malaria”. The languages for this journal are English and Indonesian. From the collection of literatures in this literature review,

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Darnius, Open, and Dessy Siahaan. "Modelling of risk factors that influence malaria infection using Binary Logistic Regression." Journal of Physics: Conference Series 2421, no. 1 (2023): 012001. http://dx.doi.org/10.1088/1742-6596/2421/1/012001.

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Abstract Malaria is a parasitic disease that is currently endemic in many countries, including in Indonesia. Batubara District in North Sumatera is one of the malaria-endemic areas. This study was conducted to make a mathematical model based on risk factors that influence malaria infection. The data used is secondary data from other researchers. The method used to model risk factors that influence malaria infection is the binary logistic regression with a categorical response variable, namely diagnosis by microscopic examination. There are 10 variable predictors; mosquito nets (X 1), quality u

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Sumbele, Irene Ule Ngole, Sharon Odmia Sama, Helen Kuokuo Kimbi, and Germain Sotoing Taiwe. "Malaria, Moderate to Severe Anaemia, and Malarial Anaemia in Children at Presentation to Hospital in the Mount Cameroon Area: A Cross-Sectional Study." Anemia 2016 (2016): 1–12. http://dx.doi.org/10.1155/2016/5725634.

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Background. Malaria remains a major killer of children in Sub-Saharan Africa, while anaemia is a public health problem with significant morbidity and mortality. Examining the factors associated with moderate to severe anaemia (MdSA) and malarial anaemia as well as the haematological characteristics is essential.Methodology. Children (1–14 years) at presentation at the Regional Hospital Annex-Buea were examined clinically and blood samples were collected for malaria parasite detection and full blood count evaluation.Results.Plasmodium falciparum, anaemia, and malarial anaemia occurred in 33.8%,

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Shetty, Archana, Teerthanath Srinivas, and Hariprasad Srinivas. "Platelet count and Superoxide Dismutase as a marker for severity of Plasmodium infection." International Journal of Research in Medical Sciences 5, no. 11 (2017): 4864. http://dx.doi.org/10.18203/2320-6012.ijrms20174934.

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Background: Malaria continues to be an important public health problem in developing and underdeveloped countries with high morbidity and mortality. It continues to be one of the major public health problems in India. Plasmodium vivax is the major parasite type causing malaria and Plasmodium falciparum is the major cause of serious and complicated disease. Haematological abnormality which is most commonly seen in malaria is thrombocytopenia followed by anaemia. Identification of predictors of disease severity is critical to improve patient care. This study was undertaken to evaluate the severi

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Dissertations / Theses on the topic "Predictor of Malaria"

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Jones, Anne Elizabeth. "Seasonal ensemble prediction of malaria in Africa." Thesis, University of Liverpool, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.479049.

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Briët, Olivier J. T. "Towards malaria prediction in Sri Lanka : modelling spatial and temporal variability of malaria case counts /." Basel : [s.n.], 2008. http://edoc.unibas.ch/diss/DissB_8750.

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Odendaal, Christiaan Jacobus. "In silico prediction of host-pathogen protein - protein interactions in the malaria parasite, Plasmodium falciparum." Diss., University of Pretoria, 2010. http://hdl.handle.net/2263/25776.

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Malaria claims millions of lives annually. This global killer causes approximately 2.7 million annual deaths worldwide; addressing this problem has become more and more crucial. Due to pathogen evolution no efficient vaccine for treatment of malaria currently exists. As infection has developed as a field of study, it became ever more clear that infections could only be understood within the context of the host-pathogen community. This project aims to predict possible drug targets based on host-pathogen interactions rather than just protein-protein interactions within a single organism. Similar

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Tedder, Philip Martin Richard. "Multi-source gene function prediction in the malaria parasite Plasmodium falciparum." Thesis, University of Leeds, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.534842.

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Adeyemi, Emmanuel Olusola. "Predictors of Malaria-Anemia Comorbidity among Under Five Children in Nigeria: A Cross Sectional Study." Digital Commons @ East Tennessee State University, 2021. https://dc.etsu.edu/asrf/2021/presentations/71.

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Anemia is known to worsen treatment outcomes in malaria, but there are not many studies to identify the predictors of anemia in Nigerian children with malaria. The objective of this study is to identify some of those predictors. Socio-demographic variables are predictors of anemia among under five children in Nigeria was the hypothesis tested. This is a cross-sectional study that used the 2018 demographic health survey (DHS) data from Nigeria to explore some of the factors that determine the presence of malaria-anemia co-morbidity in Nigerian children less than five years (N= 265). The outcome

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Alves, R. O. N. "Avian malaria associations with British mosquitoes." Thesis, University of Oxford, 2012. http://ora.ox.ac.uk/objects/uuid:dea2e4b0-f4d8-4fae-9209-fa02d083192c.

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Avian malaria (Plasmodium spp.) is a popular model system to study the ecology and evolution of parasite-host-vector interactions in the wild. These studies have historically focused mostly on the avian hosts and the malaria parasites. Knowledge regarding the role of vectors is essential to our understanding of these wild systems, but has only very recently started to accumulate. This thesis aimed to contribute to this field by assessing mosquito-malaria-host associations for British mosquitoes and the role of mosquito ecology in shaping these parasite systems in a British woodland study site,

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Totanes, Francis Isidore Garcia. "Improved computational model of the malaria metabolic network and flux analysis for drug target prediction." Thesis, University of Leeds, 2017. http://etheses.whiterose.ac.uk/17420/.

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In recent years, genome scale metabolic models have become an important tool for identifying potential drug targets against pathogens. These are particularly important where cultivation and genetic manipulation (conditional knockouts) are difficult. Malaria is a globally important disease infecting 212 million cases and causing more than 400,000 deaths in 2015. The resistance of the parasite to all antimalarial drugs on the market emphasises the urgent need to identify new drug targets. There are a few malaria metabolic models that have already been developed; however, these models are limited

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Maude, Richard James. "Retinopathy and central nervous system microcirculatory abnormalities in adult cerebral malaria and their prediction of outcome." Thesis, University of Edinburgh, 2016. http://hdl.handle.net/1842/22807.

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Introduction Malaria retinopathy is a set of visible changes in the retina which are specific to falciparum malaria. Studies to date have been mostly limited to comatose African children. Retinal changes in adults with severe malaria and severely unwell patients without malaria have been less well studied and the specificity, pathogenesis, diagnostic and prognostic value of malarial retinopathy in adults are not known. Methods A series of observational studies of retinopathy in Bangladesh, India and Malaysia were done from 2008-2012. The aims were to describe the spectrum of retinal changes in

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Yusof, Norzan Mohd. "Environmental load versus concrete quality : prediction of structure's design life." Thesis, University of Birmingham, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.323997.

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Tavares, Taizy Leda. "Estratégia genômica de vacinologia reversa para identificação de antígenos vacinais de Plasmodium vivax." Universidade Federal de Goiás, 2016. http://repositorio.bc.ufg.br/tede/handle/tede/6577.

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Books on the topic "Predictor of Malaria"

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Hoch, Lucy Ann. Malaria epidemiology and climate change: Will the incidence of malaria in England and Wales increase with the changes in climate predicted by global warming. Oxford Brookes University, 2002.

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Salleh, Badriyah Haji. Menjulang transformasi negara ke arah 2020: Janji ditepati : terbitan khas sempena sambutan kemerdekaan ke-55 tahun 2012. Arkib Negara Malaysia, 2012.

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Schmidt, Alexandra, Jennifer Hoeting, João Batista M. Pereira, and Pedro Paulo Vieira. Mapping malaria in the Amazon rain forest: A spatio-temporal mixture model. Edited by Anthony O'Hagan and Mike West. Oxford University Press, 2018. http://dx.doi.org/10.1093/oxfordhb/9780198703174.013.5.

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This article focuses on the use of a spatio-temporal mixture model for mapping malaria in the Amazon rain forest. The spatio-temporal model was developed to study malaria outbreaks over a four year period in the state of Amazonas, Brazil. The goal is to predict malaria counts for unobserved municipalities and future time periods with the aid of a free-form spatial covariance structure and a methodology that allows temporal prediction and spatial interpolation for outbreaks of malaria over time. The proposed structure is unique in that it is not a distance- or neighbourhood-based covariance mod

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Mohd Sani, Mohd Azizuddin, and Ummu Atiyah Ahmad Zakuan. Democracy at work in Malaysia. UUM Press, 2017. http://dx.doi.org/10.32890/9789672064275.

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The prediction is that the 14th General Election (14thGE) is coming earlier than when it should be, as early as March 2017, instead of May 2018. On the one hand, with the DAP-led opposition in disarray for the last 18 months, since the departure of PAS, and on the other, the UMNO-led BN becoming more resolved and combative, the events leading to the forthcoming election promises more fireworks. The complexity of facts, fictions, perceptions and perspectives in making sense of the forthcoming 14thGE are intricate. The present book, Democracy at Work, edited by Prof. Azizuddin and Dr. Ummu Atiya

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Nayyar, Deepak. Resurgent Asia. Oxford University Press, 2019. http://dx.doi.org/10.1093/oso/9780198849513.001.0001.

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Resurgent Asia analyses the phenomenal transformation of Asia, which would have been difficult to imagine, let alone predict, fifty years ago, when Gunnar Myrdal published Asian Drama. In doing so, it provides an analytical narrative of this remarkable story of economic development, situated in its wider context of historical, political, and social factors, and an economic analysis of the underlying factors, with a focus on critical issues in the process of, and outcomes in, development. In 1970, Asia was the poorest continent in the world, marginal except for its large population. By 2016, it

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Book chapters on the topic "Predictor of Malaria"

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Sriviswa, R., Hema Radhika Reddy, Nalin M. Rajendran, V. Sowmya, and E. A. Gopalakrishnan. "Deep Attention Model for Malaria Prediction." In Smart Innovation, Systems and Technologies. Springer Nature Switzerland, 2025. https://doi.org/10.1007/978-3-031-87154-2_5.

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Shanmugam, Poonkuntran, and Ankit Shrivastava. "Analysis of Malaria Incident Prediction for India." In Communications in Computer and Information Science. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-031-12641-3_32.

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Cristin, Rajan, Aravapalli Rama Satish, Tamal Kr Kundu, and Balajee Maram. "Malaria Disease Prediction with Ensemble Learning Technique." In Innovations in Computer Science and Engineering. Springer Singapore, 2022. http://dx.doi.org/10.1007/978-981-16-8987-1_55.

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Adamu, Yusuf Aliyu, and Jaspreet Singh. "Hybrid Machine Learning Algorithm for Prediction of Malaria." In Proceedings of Fourth International Conference on Computing, Communications, and Cyber-Security. Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-1479-1_31.

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Mbaye, Ousseynou, Mouhamadou Lamine Ba, Gaoussou Camara, Alassane Sy, Balla Mbacké Mboup, and Aldiouma Diallo. "Towards an Efficient Prediction Model of Malaria Cases in Senegal." In Innovations and Interdisciplinary Solutions for Underserved Areas. Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-34863-2_15.

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Gangone, Anjali, Mandu Swapna, and G. J. Bharat Kumar. "Malaria Prediction Using Fusion Learning with Enhanced Trust and Interpretability." In Lecture Notes in Networks and Systems. Springer Nature Singapore, 2025. https://doi.org/10.1007/978-981-97-8861-3_26.

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de Meyer, Hasse, Farihin Ufiya, and Siew Li Ng. "Psychosocial and demographic predictors of mental health and distress." In COVID-19 and Psychology in Malaysia. Routledge, 2021. http://dx.doi.org/10.4324/9781003178576-3.

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Zacarias, Orlando P., and Henrik Boström. "Generalization of Malaria Incidence Prediction Models by Correcting Sample Selection Bias." In Advanced Data Mining and Applications. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-53917-6_17.

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Parkoo, Kodzo, Bamba Gueye, Cheikh Sarr, and Ibrahima Dia. "Data Balancing Process to Strengthen a Malaria Control Prediction System in Senegal." In Ubiquitous Networking. Springer Nature Switzerland, 2024. http://dx.doi.org/10.1007/978-3-031-62488-9_7.

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Awotunde, Joseph Bamidele, Rasheed Gbenga Jimoh, Idowu Dauda Oladipo, and Muyideen Abdulraheem. "Prediction of Malaria Fever Using Long-Short-Term Memory and Big Data." In Communications in Computer and Information Science. Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-69143-1_4.

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Conference papers on the topic "Predictor of Malaria"

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Gangone, Anjali, Abiy Abraham, Swapna Gangone, and Bharat Kumar G J. "Malaria Prediction using Fusion Learning with Enhanced Trust and Transparency." In 2024 Intelligent Systems and Machine Learning Conference (ISML). IEEE, 2024. https://doi.org/10.1109/isml60050.2024.11007407.

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Sivakumar, J., Sudhagar D, Vithya V T, Jaichandran R, K. Narasimha Raju, and C. S. Sundar Ganesh. "Expression of Concern for: Construction of Malaria Disease Prediction System using Deep Learning." In 2022 International Conference on Automation, Computing and Renewable Systems (ICACRS). IEEE, 2022. http://dx.doi.org/10.1109/icacrs55517.2022.10703566.

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Ooko, Samson Otieno, and Charles Theuri Kagwi. "A Machine Learning Model for Prediction of Malaria from Microscopic Blood Cell Images." In 2024 IEEE International Conferences on Internet of Things (iThings) and IEEE Green Computing & Communications (GreenCom) and IEEE Cyber, Physical & Social Computing (CPSCom) and IEEE Smart Data (SmartData) and IEEE Congress on Cybermatics. IEEE, 2024. http://dx.doi.org/10.1109/ithings-greencom-cpscom-smartdata-cybermatics62450.2024.00060.

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Sridathu, Nandimedala, Raguraman Purushothaman, Pacharla Sai Kumar, Haji Shameena, and Gande Upendra. "Automated Malaria Detection and Severity Prediction using Deep Learning: A VGG19-based Approach." In 2025 Third International Conference on Augmented Intelligence and Sustainable Systems (ICAISS). IEEE, 2025. https://doi.org/10.1109/icaiss61471.2025.11041927.

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Maige, Janice, Lembris Njotto, and Wilfred Senyoni. "Leveraging Routine Data and Local Weather Variables for Malaria Case Prediction in Tanzania: A Deep Learning Approach." In 2025 IST-Africa Conference (IST-Africa). IEEE, 2025. https://doi.org/10.23919/ist-africa67297.2025.11060564.

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Nsanzabandi, Daniel, and Pacifique Nizeyimana. "Enhancing Malaria Incidence Prediction Using Weather Variables: A Comparative Study of Gradient Boosting and Random Forest Regression Models." In 2024 IEEE SmartBlock4Africa. IEEE, 2024. https://doi.org/10.1109/smartblock4africa61928.2024.10779551.

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Sabri, Nurbaity, Aqilah Nadiah Md Sahiq, Hazwa Hanim Mohamed Hamzah, Hartayuni Sain, Nur Nabilah Abu Mangshor, and Anis Amilah Shari. "Prediction of Bankruptcy among Middle 40 Per Cent (M40) in Malaysia using Support Vector Machine." In 2024 IEEE 22nd Student Conference on Research and Development (SCOReD). IEEE, 2024. https://doi.org/10.1109/scored64708.2024.10872749.

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Masinde, Muthoni. "Africa's Malaria Epidemic Predictor." In ICCDA 2020: 2020 The 4th International Conference on Compute and Data Analysis. ACM, 2020. http://dx.doi.org/10.1145/3388142.3388158.

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Wardley, T., KP West, B. Tesfay, et al. "Malaria Anticipation Project: development of a predictive malaria early warning system for anticipatory action in Jonglei State, South Sudan." In MSF Scientific Days International 2024. MSF-USA, 2024. http://dx.doi.org/10.57740/a4tlziism.

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INTRODUCTION Climate and environmental conditions are critical factors in malaria transmission. Médecins Sans Frontières (MSF) teams in South Sudan have seen changes in the timing and intensity of malaria seasonal peaks over the past decade. The Malaria Anticipation Project (MAP) aims to develop predictive early warning systems to better predict and act upon any expected rise in malaria cases, through routine surveillance. METHODS Predictive models were developed using environmental data collected from climate and space agencies and weekly outpatient department (OPD) malaria case count in Lank

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Vasilevich, F. I., and A. M. Nikanorova. "REVIEW OF MATHEMATICAL MODELING OF SOME NATURAL FOCAL DISEASES." In THEORY AND PRACTICE OF PARASITIC DISEASE CONTROL. VNIIP – FSC VIEV, 2024. http://dx.doi.org/10.31016/978-5-6050437-8-2.2024.25.79-83.

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In all periods of science development, scientists have been engaged in modeling the material world. Mathematical modeling is currently a rapidly developing method used in biological, medical and veterinary sciences including parasitology. Of particular interest is the modeling used to predict outbreaks of natural focal diseases. The historical insight is made by analyzing literature sources. The article provides a review of options for mathematical modeling in parasitology: the Ross SEIR model (1911) for malaria based on ordinary differential equations, the delayed Ross-MacDonald model for mal

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Reports on the topic "Predictor of Malaria"

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Judge, Seth, Kevin Brinck, Ayesha Genz, et al. Divergent trends in distribution and abundance of landbirds in low and high elevation habitats of the Ka?? Rainforest. National Park Service, 2024. http://dx.doi.org/10.36967/2303786.

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Federal, state, and non-governmental partners resurveyed landbirds in the Ka?? Rainforest on the Island of Hawai?i in 2019. Point-transect distance sampling was conducted in Hawai?i Volcanoes National Park, Ka?? Forest Reserve, Kap?pala Forest Reserve, and Kap?pala Cooperative Game Management Area. This is the first comprehensive survey of the region since 2008. Through a collaborative effort, monitoring transects were consolidated to provide a consistent, repeatable sampling frame for future surveys. We estimated landbird distribution, density, and abundance for eight surveys since 1976. Chan

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Kokpol, Sirirat. Relationships between biological activity and molecular properties of artemisinin compounds. Chulalongkorn University, 2001. https://doi.org/10.58837/chula.res.2001.38.

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Relationships between biological activity and molecular properties of 68 antimalarial artemisinin compounds were investigated in the quantitative manner. All compounds were geometrically optimized at the HF/3-21G level. Totally 102 molecular properties covering hydrophobicity, polarizability, electronic, and steric parameters were calculated from the optimized structures. The activities against 2 different strains of malarial parasites, D-6 and W-2, were taken from the literatures. Statistical analyses were performed to find the relationships between the activities and the calculated molecular

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