Melting point prediction of organic molecules by deciphering the chemical structure into a natural language

2021 ◽  
Author(s):  
Weiming Mi ◽  
Huijun Chen ◽  
Donghua (Alan) Zhu ◽  
Tao Zhang ◽  
Feng Qian
Keyword(s):  
Machine Learning ◽  
Natural Language Processing ◽  
Melting Point ◽  
Natural Language ◽  
Language Processing ◽  
Chemical Structure ◽  
Organic Molecules ◽  
Melting Points ◽  
Small Organic Molecules ◽  
Machine Learning Model

Predict the melting points of small organic molecules using a machine learning model based on natural language processing (NLP) of their line notations.

Nature: A Tool Resulting from the Union of Artificial Intelligence and Natural Language Processing for Searching Research Projects in Colombia

2021 ◽  
Vol 12 (04) ◽  
pp. 01-21
Author(s):  
Felipe Cujar-Rosero ◽  
David Santiago Pinchao Ortiz ◽  
Silvio Ricardo Timarán Pereira ◽  
Jimmy Mateo Guerrero Restrepo
Keyword(s):  
Artificial Intelligence ◽  
Machine Learning ◽  
Natural Language Processing ◽  
Natural Language ◽  
Virtual Environment ◽  
Language Processing ◽  
Machine Learning Algorithms ◽  
Research Projects ◽  
Machine Learning Model ◽  
The University

This paper presents the final results of the research project that aimed for the construction of a tool which is aided by Artificial Intelligence through an Ontology with a model trained with Machine Learning, and is aided by Natural Language Processing to support the semantic search of research projects of the Research System of the University of Nariño. For the construction of NATURE, as this tool is called, a methodology was used that includes the following stages: appropriation of knowledge, installation and configuration of tools, libraries and technologies, collection, extraction and preparation of research projects, design and development of the tool. The main results of the work were three: a) the complete construction of the Ontology with classes, object properties (predicates), data properties (attributes) and individuals (instances) in Protegé, SPARQL queries with Apache Jena Fuseki and the respective coding with Owlready2 using Jupyter Notebook with Python within the virtual environment of anaconda; b) the successful training of the model for which Machine Learning algorithms were used and specifically Natural Language Processing algorithms such as: SpaCy, NLTK, Word2vec and Doc2vec, this was also performed in Jupyter Notebook with Python within the virtual environment of anaconda and with Elasticsearch; and c) the creation of NATURE by managing and unifying the queries for the Ontology and for the Machine Learning model. The tests showed that NATURE was successful in all the searches that were performed as its results were satisfactory.

A Machine Learning Application for Raising WASH Awareness in the Times of COVID-19 Pandemic (Preprint)

2020 ◽  
Author(s):  
Rohan Pandey ◽  
Vaibhav Gautam ◽  
Ridam Pal ◽  
Harsh Bandhey ◽  
Lovedeep Singh Dhingra ◽  
...  
Keyword(s):  
Machine Learning ◽  
Natural Language Processing ◽  
Natural Language ◽  
Machine Translation ◽  
Language Processing ◽  
User Feedback ◽  
Who Guidelines ◽  
The Times ◽  
The Right ◽  
Local Languages

BACKGROUND The COVID-19 pandemic has uncovered the potential of digital misinformation in shaping the health of nations. The deluge of unverified information that spreads faster than the epidemic itself is an unprecedented phenomenon that has put millions of lives in danger. Mitigating this ‘Infodemic’ requires strong health messaging systems that are engaging, vernacular, scalable, effective and continuously learn the new patterns of misinformation. OBJECTIVE We created WashKaro, a multi-pronged intervention for mitigating misinformation through conversational AI, machine translation and natural language processing. WashKaro provides the right information matched against WHO guidelines through AI, and delivers it in the right format in local languages. METHODS We theorize (i) an NLP based AI engine that could continuously incorporate user feedback to improve relevance of information, (ii) bite sized audio in the local language to improve penetrance in a country with skewed gender literacy ratios, and (iii) conversational but interactive AI engagement with users towards an increased health awareness in the community. RESULTS A total of 5026 people who downloaded the app during the study window, among those 1545 were active users. Our study shows that 3.4 times more females engaged with the App in Hindi as compared to males, the relevance of AI-filtered news content doubled within 45 days of continuous machine learning, and the prudence of integrated AI chatbot “Satya” increased thus proving the usefulness of an mHealth platform to mitigate health misinformation. CONCLUSIONS We conclude that a multi-pronged machine learning application delivering vernacular bite-sized audios and conversational AI is an effective approach to mitigate health misinformation. CLINICALTRIAL Not Applicable

scholarly journals Applying natural language processing and machine learning techniques to patient experience feedback: a systematic review

2021 ◽  
Vol 28 (1) ◽  
pp. e100262
Author(s):  
Mustafa Khanbhai ◽  
Patrick Anyadi ◽  
Joshua Symons ◽  
Kelsey Flott ◽  
Ara Darzi ◽  
...  
Keyword(s):  
Machine Learning ◽  
Systematic Review ◽  
Social Media ◽  
Natural Language Processing ◽  
Natural Language ◽  
Patient Experience ◽  
Language Processing ◽  
Performance Metrics ◽  
Free Text ◽  
Patient Feedback

ObjectivesUnstructured free-text patient feedback contains rich information, and analysing these data manually would require a lot of personnel resources which are not available in most healthcare organisations.To undertake a systematic review of the literature on the use of natural language processing (NLP) and machine learning (ML) to process and analyse free-text patient experience data.MethodsDatabases were systematically searched to identify articles published between January 2000 and December 2019 examining NLP to analyse free-text patient feedback. Due to the heterogeneous nature of the studies, a narrative synthesis was deemed most appropriate. Data related to the study purpose, corpus, methodology, performance metrics and indicators of quality were recorded.ResultsNineteen articles were included. The majority (80%) of studies applied language analysis techniques on patient feedback from social media sites (unsolicited) followed by structured surveys (solicited). Supervised learning was frequently used (n=9), followed by unsupervised (n=6) and semisupervised (n=3). Comments extracted from social media were analysed using an unsupervised approach, and free-text comments held within structured surveys were analysed using a supervised approach. Reported performance metrics included the precision, recall and F-measure, with support vector machine and Naïve Bayes being the best performing ML classifiers.ConclusionNLP and ML have emerged as an important tool for processing unstructured free text. Both supervised and unsupervised approaches have their role depending on the data source. With the advancement of data analysis tools, these techniques may be useful to healthcare organisations to generate insight from the volumes of unstructured free-text data.

scholarly journals Obtaining Knowledge in Pathology Reports Through a Natural Language Processing Approach With Classification, Named-Entity Recognition, and Relation-Extraction Heuristics

2019 ◽  
pp. 1-8 ◽  
Author(s):  
Tomasz Oliwa ◽  
Steven B. Maron ◽  
Leah M. Chase ◽  
Samantha Lomnicki ◽  
Daniel V.T. Catenacci ◽  
...  
Keyword(s):  
Machine Learning ◽  
Natural Language Processing ◽  
Natural Language ◽  
Language Processing ◽  
Named Entity Recognition ◽  
Entity Recognition ◽  
Classification Model ◽  
Supervised Machine Learning ◽  
Named Entity ◽  
Pathology Reports

PURPOSE Robust institutional tumor banks depend on continuous sample curation or else subsequent biopsy or resection specimens are overlooked after initial enrollment. Curation automation is hindered by semistructured free-text clinical pathology notes, which complicate data abstraction. Our motivation is to develop a natural language processing method that dynamically identifies existing pathology specimen elements necessary for locating specimens for future use in a manner that can be re-implemented by other institutions. PATIENTS AND METHODS Pathology reports from patients with gastroesophageal cancer enrolled in The University of Chicago GI oncology tumor bank were used to train and validate a novel composite natural language processing-based pipeline with a supervised machine learning classification step to separate notes into internal (primary review) and external (consultation) reports; a named-entity recognition step to obtain label (accession number), location, date, and sublabels (block identifiers); and a results proofreading step. RESULTS We analyzed 188 pathology reports, including 82 internal reports and 106 external consult reports, and successfully extracted named entities grouped as sample information (label, date, location). Our approach identified up to 24 additional unique samples in external consult notes that could have been overlooked. Our classification model obtained 100% accuracy on the basis of 10-fold cross-validation. Precision, recall, and F1 for class-specific named-entity recognition models show strong performance. CONCLUSION Through a combination of natural language processing and machine learning, we devised a re-implementable and automated approach that can accurately extract specimen attributes from semistructured pathology notes to dynamically populate a tumor registry.

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