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The complete dataset used in the analysis comprises 36 samples, each described by 11 numeric features and 1 target. The attributes considered were caspase 3/7 activity, Mitotracker red CMXRos area and intensity (3 h and 24 h incubations with both compounds), Mitosox oxidation (3 h incubation with the referred compounds) and oxidation rate, DCFDA fluorescence (3 h and 24 h incubations with either compound) and oxidation rate, and DQ BSA hydrolysis. The target of each instance corresponds to one of the 9 possible classes (4 samples per class): Control, 6.25, 12.5, 25 and 50 µM for 6-OHDA and 0.03, 0.06, 0.125 and 0.25 µM for rotenone. The dataset is balanced, it does not contain any missing values and data was standardized across features. The small number of samples prevented a full and strong statistical analysis of the results. Nevertheless, it allowed the identification of relevant hidden patterns and trends.
Exploratory data analysis, information gain, hierarchical clustering, and supervised predictive modeling were performed using Orange Data Mining version 3.25.1 [41]. Hierarchical clustering was performed using the Euclidean distance metric and weighted linkage. Cluster maps were plotted to relate the features with higher mutual information (in rows) with instances (in columns), with the color of each cell representing the normalized level of a particular feature in a specific instance. The information is grouped both in rows and in columns by a two-way hierarchical clustering method using the Euclidean distances and average linkage. Stratified cross-validation was used to train the supervised decision tree. A set of preliminary empirical experiments were performed to choose the best parameters for each algorithm, and we verified that, within moderate variations, there were no significant changes in the outcome. The following settings were adopted for the decision tree algorithm: minimum number of samples in leaves: 2; minimum number of samples required to split an internal node: 5; stop splitting when majority reaches: 95%; criterion: gain ratio. The performance of the supervised model was assessed using accuracy, precision, recall, F-measure and area under the ROC curve (AUC) metrics.
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The zipped file contains the following: - data (as csv, in the 'data' folder), - R scripts (as Rmd, in the rro folder), - figures (as pdf, in the 'figs' folder), and - presentation (as html, in the root folder).
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Electronic health records (EHRs) have been widely adopted in recent years, but often include a high proportion of missing data, which can create difficulties in implementing machine learning and other tools of personalized medicine. Completed datasets are preferred for a number of analysis methods, and successful imputation of missing EHR data can improve interpretation and increase our power to predict health outcomes. However, use of the most popular imputation methods mainly require scripting skills, and are implemented using various packages and syntax. Thus, the implementation of a full suite of methods is generally out of reach to all except experienced data scientists. Moreover, imputation is often considered as a separate exercise from exploratory data analysis, but should be considered as art of the data exploration process. We have created a new graphical tool, ImputEHR, that is based on a Python base and allows implementation of a range of simple and sophisticated (e.g., gradient-boosted tree-based and neural network) data imputation approaches. In addition to imputation, the tool enables data exploration for informed decision-making, as well as implementing machine learning prediction tools for response data selected by the user. Although the approach works for any missing data problem, the tool is primarily motivated by problems encountered for EHR and other biomedical data. We illustrate the tool using multiple real datasets, providing performance measures of imputation and downstream predictive analysis.
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Identifying and dealing with outliers is an important part of data analysis. A new visualization, the O3 plot, is introduced to aid in the display and understanding of patterns of multivariate outliers. It uses the results of identifying outliers for every possible combination of dataset variables to provide insight into why particular cases are outliers. The O3 plot can be used to compare the results from up to six different outlier identification methods. There is anRpackage OutliersO3 implementing the plot. The article is illustrated with outlier analyses of German demographic and economic data. Supplementary materials for this article are available online.
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Samples relating to 12 analyses of lay-theories of resilience among participants from USA, New Zealand, India, Iran, Russia (Moscow; Kazan). Central variables relate to participant endorsements of resilience descriptors. Demographic data includes (though not for all samples), Sex/Gender, Age, Ethnicity, Work, and Educational Status. Analysis 1. USA Exploratory Factor Analysis dataAnalysis 2. New Zealand Exploratory Factor Analysis dataAnalysis 3. India Exploratory Factor Analysis dataAnalysis 4. Iran Exploratory Factor Analysis dataAnalysis 5. Russian (Moscow) Exploratory Factor Analysis dataAnalysis 6. Russian (Kazan) Exploratory Factor Analysis dataAnalysis 7. USA Confirmatory Factor Analysis dataAnalysis 8. New Zealand Confirmatory Factor Analysis dataAnalysis 9. India Confirmatory Factor Analysis dataAnalysis 10. Iran Confirmatory Factor Analysis dataAnalysis 11. Russian (Moscow) Confirmatory Factor Analysis dataAnalysis 12. Russian (Kazan) Confirmatory Factor Analysis data
This component contains the data and syntax code used to conduct the Exploratory Factor Analysis and compute Velicer’s minimum average partial test in sample 1
CC0 1.0 Universal Public Domain Dedicationhttps://creativecommons.org/publicdomain/zero/1.0/
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This dataset contains customer reviews for British Airways, a prominent airline operating in the United Kingdom [1, 2]. It offers a wide range of experiences and opinions shared by travellers [2]. The dataset is valuable for analysing customer sentiment, identifying recurring issues, tracking feedback trends over time, and segmenting reviews for more targeted insights [2].
The dataset is typically provided in CSV format [3]. While specific row counts are not explicitly stated, the data includes counts indicating review distribution, such as 293 entries for various label ranges, suggesting approximately 2930 records in total [1, 4]. It also notes that 2923 unique values are present for "British Airways customer review" and 1615 unique values for "never fly British Airways again" [4].
This dataset is ideal for various analytical applications, including: * Sentiment analysis: To gauge overall customer sentiment concerning British Airways [2]. * Theme identification: Pinpointing common themes or issues frequently mentioned by reviewers [2]. * Trend tracking: Monitoring changes in customer feedback and satisfaction over time [2]. * Targeted analysis: Segmenting reviews based on specific customer attributes for more focused insights [2].
The geographic scope of the reviews primarily includes the United Kingdom (62%) and the United States (11%), with other locations making up 26% of the data [4]. The dataset contains a 'date' column for time-based analysis, but a specific time range for the reviews is not specified in the provided information [1, 2]. Demographic details about the reviewers are not included.
CC0
This dataset is suitable for: * Data analysts and scientists: For building sentiment models or conducting exploratory data analysis. * Market research professionals: To understand customer perceptions and identify areas for service improvement. * Airline industry stakeholders: To monitor brand reputation and competitive landscape. * Students and researchers: For academic projects related to natural language processing (NLP), text mining, or customer experience studies.
Original Data Source: British Airways Customer Reviews
Description: The COVID-19 dataset used for this EDA project encompasses comprehensive data on COVID-19 cases, deaths, and recoveries worldwide. It includes information gathered from authoritative sources such as the World Health Organization (WHO), the Centers for Disease Control and Prevention (CDC), and national health agencies. The dataset covers global, regional, and national levels, providing a holistic view of the pandemic's impact.
Purpose: This dataset is instrumental in understanding the multifaceted impact of the COVID-19 pandemic through data exploration. It aligns perfectly with the objectives of the EDA project, aiming to unveil insights, patterns, and trends related to COVID-19. Here are the key objectives: 1. Data Collection and Cleaning: • Gather reliable COVID-19 datasets from authoritative sources (such as WHO, CDC, or national health agencies). • Clean and preprocess the data to ensure accuracy and consistency. 2. Descriptive Statistics: • Summarize key statistics: total cases, recoveries, deaths, and testing rates. • Visualize temporal trends using line charts, bar plots, and heat maps. 3. Geospatial Analysis: • Map COVID-19 cases across countries, regions, or cities. • Identify hotspots and variations in infection rates. 4. Demographic Insights: • Explore how age, gender, and pre-existing conditions impact vulnerability. • Investigate disparities in infection rates among different populations. 5. Healthcare System Impact: • Analyze hospitalization rates, ICU occupancy, and healthcare resource allocation. • Assess the strain on medical facilities. 6. Economic and Social Effects: • Investigate the relationship between lockdown measures, economic indicators, and infection rates. • Explore behavioral changes (e.g., mobility patterns, remote work) during the pandemic. 7. Predictive Modeling (Optional): • If data permits, build simple predictive models (e.g., time series forecasting) to estimate future cases.
Data Sources: The primary sources of the COVID-19 dataset include the Johns Hopkins CSSE COVID-19 Data Repository, Google Health’s COVID-19 Open Data, and the U.S. Economic Development Administration (EDA). These sources provide reliable and up-to-date information on COVID-19 cases, deaths, testing rates, and other relevant variables. Additionally, GitHub repositories and platforms like Medium host supplementary datasets and analyses, enriching the available data resources.
Data Format: The dataset is available in various formats, such as CSV and JSON, facilitating easy access and analysis. Before conducting the EDA, the data underwent preprocessing steps to ensure accuracy and consistency. Data cleaning procedures were performed to address missing values, inconsistencies, and outliers, enhancing the quality and reliability of the dataset.
License: The COVID-19 dataset may be subject to specific usage licenses or restrictions imposed by the original data sources. Proper attribution is essential to acknowledge the contributions of the WHO, CDC, national health agencies, and other entities providing the data. Users should adhere to any licensing terms and usage guidelines associated with the dataset.
Attribution: We acknowledge the invaluable contributions of the World Health Organization (WHO), the Centers for Disease Control and Prevention (CDC), national health agencies, and other authoritative sources in compiling and disseminating the COVID-19 data used for this EDA project. Their efforts in collecting, curating, and sharing data have been instrumental in advancing our understanding of the pandemic and guiding public health responses globally.
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This folder contains the files used in the ASL analyses of my study: All of the data and calculations for my primary analysis, my exploratory analyses (except the one using a video from The Daily Moth, which can be found in a separate folder), and the ASL portions of my secondary analysis. As described in my dissertation, I am not sharing the original video files in order to protect the privacy of those who participated in my study.Each file is shared in one or more of the formats listed below, as appropriate:PDF.csv files (one file for each sheet)Link to my Google Sheets file
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Exploratory analyses are an important first step in psychological research, particularly in problem-based research where various variables are often included from multiple theoretical perspectives not studied together in combination before. Notably, exploratory analyses aim to give first insights into how items and variables included in a study relate to each other. Typically, exploratory analyses involve computing bivariate correlations between items and variables and presenting them in a table. While this is suitable for relatively small data sets, such tables can easily become overwhelming when datasets contain a broad set of variables from multiple theories. We propose the Gaussian graphical model as a novel exploratory analyses tool and present a systematic roadmap to apply this model to explore relationships between items and variables in environmental psychology research. We demonstrate the use and value of the Gaussian graphical model to study relationships between a broad set of items and variables that are expected to explain the effectiveness of community energy initiatives in promoting sustainable energy behaviors.
The average American’s diet does not align with the Dietary Guidelines for Americans (DGA) provided by the U.S. Department of Agriculture and the U.S. Department of Health and Human Services (2020). The present study aimed to compare fruit and vegetable consumption among those who had and had not heard of the DGA, identify characteristics of DGA users, and identify barriers to DGA use. A nationwide survey of 943 Americans revealed that those who had heard of the DGA ate more fruits and vegetables than those who had not. Men, African Americans, and those who have more education had greater odds of using the DGA as a guide when preparing meals relative to their respective counterparts. Disinterest, effort, and time were among the most cited reasons for not using the DGA. Future research should examine how to increase DGA adherence among those unaware of or who do not use the DGA. Comparative analyses of fruit and vegetable consumption among those who were aware/unaware and use/do not use the DGA were completed using independent samples t tests. Fruit and vegetable consumption variables were log-transformed for analysis. Binary logistic regression was used to examine whether demographic features (race, gender, and age) predict DGA awareness and usage. Data were analyzed using SPSS version 28.1 and SAS/STAT® version 9.4 TS1M7 (2023 SAS Institute Inc).
Apache License, v2.0https://www.apache.org/licenses/LICENSE-2.0
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The data is related with direct marketing campaigns of a Portuguese banking institution. The marketing campaigns were based on phone calls. Often, more than one contact to the same client was required, in order to access if the product (bank term deposit) would be ('yes') or not ('no') subscribed.
There are four datasets: 1) bank-additional-full.csv with all examples (41188) and 20 inputs, ordered by date (from May 2008 to November 2010), very close to the data analyzed in [Moro et al., 2014] 2) bank-additional.csv with 10% of the examples (4119), randomly selected from 1), and 20 inputs. 3) bank-full.csv with all examples and 17 inputs, ordered by date (older version of this dataset with less inputs). 4) bank.csv with 10% of the examples and 17 inputs, randomly selected from 3 (older version of this dataset with less inputs). The smallest datasets are provided to test more computationally demanding machine learning algorithms (e.g., SVM).
The classification goal is to predict if the client will subscribe (yes/no) a term deposit (variable y).
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This dataset provides a detailed look into transactional behavior and financial activity patterns, ideal for exploring fraud detection and anomaly identification. It contains 2,512 samples of transaction data, covering various transaction attributes, customer demographics, and usage patterns. Each entry offers comprehensive insights into transaction behavior, enabling analysis for financial security and fraud detection applications.
Key Features:
This dataset is ideal for data scientists, financial analysts, and researchers looking to analyze transactional patterns, detect fraud, and build predictive models for financial security applications. The dataset was designed for machine learning and pattern analysis tasks and is not intended as a primary data source for academic publications.
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This repository contains material related to the analysis performed in the article "Best Practices for Your Exploratory Factor Analysis: a Factor Tutorial". The material includes the data used in the analyses in .dat format, the labels (.txt) of the variables used in the Factor software, the outputs (.txt) evaluated in the article, and videos (.mp4 with English subtitles) recorded for the purpose of explaining the article. The videos can also be accessed in the following playlist: https://youtube.com/playlist?list=PLln41V0OsLHbSlYcDszn2PoTSiAwV5Oda. Below is a summary of the article:
"Exploratory Factor Analysis (EFA) is one of the statistical methods most widely used in Administration, however, its current practice coexists with rules of thumb and heuristics given half a century ago. The purpose of this article is to present the best practices and recent recommendations for a typical EFA in Administration through a practical solution accessible to researchers. In this sense, in addition to discussing current practices versus recommended practices, a tutorial with real data on Factor is illustrated, a software that is still little known in the Administration area, but freeware, easy to use (point and click) and powerful. The step-by-step illustrated in the article, in addition to the discussions raised and an additional example, is also available in the format of tutorial videos. Through the proposed didactic methodology (article-tutorial + video-tutorial), we encourage researchers/methodologists who have mastered a particular technique to do the same. Specifically, about EFA, we hope that the presentation of the Factor software, as a first solution, can transcend the current outdated rules of thumb and heuristics, by making best practices accessible to Administration researchers".
If you are interested in joining Kaggle University Club, please e-mail Jessica Li at lijessica@google.com
This Hackathon is open to all undergraduate, master, and PhD students who are part of the Kaggle University Club program. The Hackathon provides students with a chance to build capacity via hands-on ML, learn from one another, and engage in a self-defined project that is meaningful to their careers.
Teams must register via Google Form to be eligible for the Hackathon. The Hackathon starts on Monday, November 12, 2018 and ends on Monday, December 10, 2018. Teams have one month to work on a team submission. Teams must do all work within the Kernel editor and set Kernel(s) to public at all times.
The freestyle format of hackathons has time and again stimulated groundbreaking and innovative data insights and technologies. The Kaggle University Club Hackathon recreates this environment virtually on our platform. We challenge you to build a meaningful project around the UCI Machine Learning - Drug Review Dataset. Teams are free to let their creativity run and propose methods to analyze this dataset and form interesting machine learning models.
Machine learning has permeated nearly all fields and disciplines of study. One hot topic is using natural language processing and sentiment analysis to identify, extract, and make use of subjective information. The UCI ML Drug Review dataset provides patient reviews on specific drugs along with related conditions and a 10-star patient rating system reflecting overall patient satisfaction. The data was obtained by crawling online pharmaceutical review sites. This data was published in a study on sentiment analysis of drug experience over multiple facets, ex. sentiments learned on specific aspects such as effectiveness and side effects (see the acknowledgments section to learn more).
The sky's the limit here in terms of what your team can do! Teams are free to add supplementary datasets in conjunction with the drug review dataset in their Kernel. Discussion is highly encouraged within the forum and Slack so everyone can learn from their peers.
Here are just a couple ideas as to what you could do with the data:
There is no one correct answer to this Hackathon, and teams are free to define the direction of their own project. That being said, there are certain core elements generally found across all outstanding Kernels on the Kaggle platform. The best Kernels are:
Teams with top submissions have a chance to receive exclusive Kaggle University Club swag and be featured on our official blog and across social media.
IMPORTANT: Teams must set all Kernels to public at all times. This is so we can track each team's progression, but more importantly it encourages collaboration, productive discussion, and healthy inspiration to all teams. It is not so that teams can simply copycat good ideas. If a team's Kernel isn't their own organic work, it will not be considered a top submission. Teams must come up with a project on their own.
The final Kernel submission for the Hackathon must contain the following information:
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read-tv
The main paper is about, read-tv, open-source software for longitudinal data visualization. We uploaded sample use case surgical flow disruption data to highlight read-tv's capabilities. We scrubbed the data of protected health information, and uploaded it as a single CSV file. A description of the original data is described below.
Data source
Surgical workflow disruptions, defined as “deviations from the natural progression of an operation thereby potentially compromising the efficiency or safety of care”, provide a window on the systems of work through which it is possible to analyze mismatches between the work demands and the ability of the people to deliver the work. They have been shown to be sensitive to different intraoperative technologies, surgical errors, surgical experience, room layout, checklist implementation and the effectiveness of the supporting team. The significance of flow disruptions lies in their ability to provide a hitherto unavailable perspective on the quality and efficiency of the system. This allows for a systematic, quantitative and replicable assessment of risks in surgical systems, evaluation of interventions to address them, and assessment of the role that technology plays in exacerbation or mitigation.
In 2014, Drs Catchpole and Anger were awarded NIBIB R03 EB017447 to investigate flow disruptions in Robotic Surgery which has resulted in the detailed, multi-level analysis of over 4,000 flow disruptions. Direct observation of 89 RAS (robitic assisted surgery) cases, found a mean of 9.62 flow disruptions per hour, which varies across different surgical phases, predominantly caused by coordination, communication, equipment, and training problems.
Methods This section does not describe the methods of read-tv software development, which can be found in the associated manuscript from JAMIA Open (JAMIO-2020-0121.R1). This section describes the methods involved in the surgical work flow disruption data collection. A curated, PHI-free (protected health information) version of this dataset was used as a use case for this manuscript.
Observer training
Trained human factors researchers conducted each observation following the completion of observer training. The researchers were two full-time research assistants based in the department of surgery at site 3 who visited the other two sites to collect data. Human Factors experts guided and trained each observer in the identification and standardized collection of FDs. The observers were also trained in the basic components of robotic surgery in order to be able to tangibly isolate and describe such disruptive events.
Comprehensive observer training was ensured with both classroom and floor training. Observers were required to review relevant literature, understand general practice guidelines for observing in the OR (e.g., where to stand, what to avoid, who to speak to), and conduct practice observations. The practice observations were broken down into three phases, all performed under the direct supervision of an experienced observer. During phase one, the trainees oriented themselves to the real-time events of both the OR and the general steps in RAS. The trainee was also introduced to the OR staff and any other involved key personnel. During phase two, the trainer and trainee observed three RAS procedures together to practice collecting FDs and become familiar with the data collection tool. Phase three was dedicated to determining inter-rater reliability by having the trainer and trainee simultaneously, yet independently, conduct observations for at least three full RAS procedures. Observers were considered fully trained if, after three full case observations, intra-class correlation coefficients (based on number of observed disruptions per phase) were greater than 0.80, indicating good reliability.
Data collection
Following the completion of training, observers individually conducted observations in the OR. All relevant RAS cases were pre-identified on a monthly basis by scanning the surgical schedule and recording a list of procedures. All procedures observed were conducted with the Da Vinci Xi surgical robot, with the exception of one procedure at Site 2, which was performed with the Si robot. Observers attended those cases that fit within their allotted work hours and schedule. Observers used Microsoft Surface Pro tablets configured with a customized data collection tool developed using Microsoft Excel to collect data. The data collection tool divided procedures into five phases, as opposed to the four phases previously used in similar research, to more clearly distinguish between task demands throughout the procedure. Phases consisted of phase 1 - patient in the room to insufflation, phase 2 -insufflation to surgeon on console (including docking), phase 3 - surgeon on console to surgeon off console, phase 4 - surgeon off console to patient closure, and phase 5 - patient closure to patient leaves the operating room. During each procedure, FDs were recorded into the appropriate phase, and a narrative, time-stamp, and classification (based off of a robot-specific FD taxonomy) were also recorded.
Each FD was categorized into one of ten categories: communication, coordination, environment, equipment, external factors, other, patient factors, surgical task considerations, training, or unsure. The categorization system is modeled after previous studies, as well as the examples provided for each FD category.
Once in the OR, observers remained as unobtrusive as possible. They stood at an appropriate vantage point in the room without getting in the way of team members. Once an appropriate time presented itself, observers introduced themselves to the circulating nurse and informed them of the reason for their presence. Observers did not directly engage in conversations with operating room staff, however, if a staff member approached them with any questions/comments they would respond.
Data Reduction and PHI (Protected Health Information) Removal
This dataset uses 41 of the aforementioned surgeries. All columns have been removed except disruption type, a numeric timestamp for number of minutes into the day, and surgical phase. In addition, each surgical case had it's initial disruption set to 12 noon, (720 minutes).
Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
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This fileset provides the basic data and analysis files used for a blogpost on the Genealogical World of Phylogenetic Networks by Guido Grimm and Timothy Holt entitled"To boldy go where no one has gone before – networks of moons"ContentFigures shown in the blogpost and a 7z-archive (7-zip.org) including— different versions of the basic data matrices including versions with code lines for the performed analysis with PAUP* (in JupiterMatrix99.simple.nex the code lines are explained to facilitate use by newbies)— results of the distance-based and parsimony analysesSee Readme.txt for labelling conventions, format, and further information.!!Important note!! In case you re-use the here provided data, make sure to cite (also) the original publication:Holt TR, Brown AJ, Nesvorný D, Horner J, Carter B (2018) Cladistical analysis of the Jovian and Saturnian satellite systems. Astrophysical Journal 859(2): 97, 20 ppPre-print version at arXiv: 1706.0142
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Sample 1 was used for Exploratory Factor Analysis, Sample 2 was used for Confirmatory Factor Analysis.
This dataset is a corpus of 58,009 Reddit comments, each meticulously annotated by humans to one of 27 distinct emotion categories or a neutral label. It serves as an invaluable resource for tasks involving the multi-classification of emotions and is particularly well-suited for various natural language processing (NLP) applications.
data
: The original textual content of the Reddit comment.text
: The textual content of the Reddit comment, which may be a processed or identical version of the data
column.id
: A unique identifier for each individual Reddit comment.author
: The username of the Reddit account that posted the comment.subreddit
: The name of the Reddit community (subreddit) where the comment was published.link_id
: An identifier for the submission (post) to which the comment is linked.parent_id
: An identifier for the parent comment or the original submission, indicating its place within a conversation thread.created_utc
: The creation timestamp of the comment, presented in Unix epoch format.rater_id
: An identifier for the human annotator who provided the emotion label for the comment.example_very_unclear
: A boolean flag that indicates whether the example was deemed very unclear during the annotation process.admiration
: One of the 27 emotion categories assigned to the comment, typically represented as a binary (0 or 1) value. Other emotion categories include amusement, anger, annoyance, approval, caring, confusion, curiosity, desire, disappointment, disapproval, disgust, embarrassment, excitement, fear, gratitude, grief, joy, love, nervousness, optimism, pride, realisation, relief, remorse, sadness, and surprise, in addition to a Neutral label.The dataset is provided in a CSV file format. It contains 58,009 individual examples and has a file size of 42.74 MB. The data is structured with a version filtered based on rater-agreement, which is further divided into training, testing, and validation sets: * Training dataset: 43,410 examples * Test dataset: 5,427 examples * Validation dataset: 5,426 examples
This dataset is ideal for: * Developing and evaluating emotion classification models. * Performing sentiment analysis on social media content. * Conducting research in natural language processing and understanding. * Facilitating exploratory data analysis of emotional expression on the Reddit platform. * Aiding the development of AI and large language model (LLM) applications that require emotion detection capabilities.
CC BY-NC-SA.
Original Data Source: GoEmotions
Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
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The complete dataset used in the analysis comprises 36 samples, each described by 11 numeric features and 1 target. The attributes considered were caspase 3/7 activity, Mitotracker red CMXRos area and intensity (3 h and 24 h incubations with both compounds), Mitosox oxidation (3 h incubation with the referred compounds) and oxidation rate, DCFDA fluorescence (3 h and 24 h incubations with either compound) and oxidation rate, and DQ BSA hydrolysis. The target of each instance corresponds to one of the 9 possible classes (4 samples per class): Control, 6.25, 12.5, 25 and 50 µM for 6-OHDA and 0.03, 0.06, 0.125 and 0.25 µM for rotenone. The dataset is balanced, it does not contain any missing values and data was standardized across features. The small number of samples prevented a full and strong statistical analysis of the results. Nevertheless, it allowed the identification of relevant hidden patterns and trends.
Exploratory data analysis, information gain, hierarchical clustering, and supervised predictive modeling were performed using Orange Data Mining version 3.25.1 [41]. Hierarchical clustering was performed using the Euclidean distance metric and weighted linkage. Cluster maps were plotted to relate the features with higher mutual information (in rows) with instances (in columns), with the color of each cell representing the normalized level of a particular feature in a specific instance. The information is grouped both in rows and in columns by a two-way hierarchical clustering method using the Euclidean distances and average linkage. Stratified cross-validation was used to train the supervised decision tree. A set of preliminary empirical experiments were performed to choose the best parameters for each algorithm, and we verified that, within moderate variations, there were no significant changes in the outcome. The following settings were adopted for the decision tree algorithm: minimum number of samples in leaves: 2; minimum number of samples required to split an internal node: 5; stop splitting when majority reaches: 95%; criterion: gain ratio. The performance of the supervised model was assessed using accuracy, precision, recall, F-measure and area under the ROC curve (AUC) metrics.