La potencialidad de los blogs y foros de climántica en la educación para el cambio climántico

Se valora la experiencia de integración de bitácoras y foros en el aula a través de los proyectos Climaeucambio y Climántica Ciencias para el Mundo Contemporáneo. Las bitácoras y foros actúan como medios para el debate e instrumentos de trabajo y cooperación, facilitando la creación de comunidades de aprendizaje. La utilización de estas herramientas ofrece posibilidades al profesorado para desarrollar iniciativas de investigación-acción que promuevan una participación más activa del alumno y constituyen un instrumento valioso para formar e implantar comunidades de docentes preocupados por la educación ambiental y la concienciación frente al Cambio Climático desde la escuela

SELFIES and the future of molecular string representations

Artificial intelligence (AI) and machine learning (ML) are expanding in popularity for broad applications to challenging tasks in chemistry and materials science. Examples include the prediction of properties, the discovery of new reaction pathways, or the design of new molecules. The machine needs to read and write fluently in a chemical language for each of these tasks. Strings are a common tool to represent molecular graphs, and the most popular molecular string representation, SMILES, has powered cheminformatics since the late 1980s. However, in the context of AI and ML in chemistry, SMILES has several shortcomings -- most pertinently, most combinations of symbols lead to invalid results with no valid chemical interpretation. To overcome this issue, a new language for molecules was introduced in 2020 that guarantees 100\% robustness: SELFIES (SELF-referencIng Embedded Strings). SELFIES has since simplified and enabled numerous new applications in chemistry. In this manuscript, we look to the future and discuss molecular string representations, along with their respective opportunities and challenges. We propose 16 concrete Future Projects for robust molecular representations. These involve the extension toward new chemical domains, exciting questions at the interface of AI and robust languages and interpretability for both humans and machines. We hope that these proposals will inspire several follow-up works exploiting the full potential of molecular string representations for the future of AI in chemistry and materials science.Comment: 34 pages, 15 figures, comments and suggestions for additional references are welcome

SELFIES and the future of molecular string representations

Artificial intelligence (AI) and machine learning (ML) are expanding in popularity for broad applications to challenging tasks in chemistry and materials science. Examples include the prediction of properties, the discovery of new reaction pathways, or the design of new molecules. The machine needs to read and write fluently in a chemical language for each of these tasks. Strings are a common tool to represent molecular graphs, and the most popular molecular string representation, SMILES, has powered cheminformatics since the late 1980s. However, in the context of AI and ML in chemistry, SMILES has several shortcomings -- most pertinently, most combinations of symbols lead to invalid results with no valid chemical interpretation. To overcome this issue, a new language for molecules was introduced in 2020 that guarantees 100\% robustness: SELFIES (SELF-referencIng Embedded Strings). SELFIES has since simplified and enabled numerous new applications in chemistry. In this manuscript, we look to the future and discuss molecular string representations, along with their respective opportunities and challenges. We propose 16 concrete Future Projects for robust molecular representations. These involve the extension toward new chemical domains, exciting questions at the interface of AI and robust languages and interpretability for both humans and machines. We hope that these proposals will inspire several follow-up works exploiting the full potential of molecular string representations for the future of AI in chemistry and materials science

SELFIES and the future of molecular string representations

Artificial intelligence (AI) and machine learning (ML) are expanding in popularity for broad applications to challenging tasks in chemistry and materials science. Examples include the prediction of properties, the discovery of new reaction pathways, or the design of new molecules. The machine needs to read and write fluently in a chemical language for each of these tasks. Strings are a common tool to represent molecular graphs, and the most popular molecular string representation, Smiles, has powered cheminformatics since the late 1980s. However, in the context of AI and ML in chemistry, Smiles has several shortcomings—most pertinently, most combinations of symbols lead to invalid results with no valid chemical interpretation. To overcome this issue, a new language for molecules was introduced in 2020 that guarantees 100% robustness: SELF-referencing embedded string (Selfies). Selfies has since simplified and enabled numerous new applications in chemistry. In this perspective, we look to the future and discuss molecular string representations, along with their respective opportunities and challenges. We propose 16 concrete future projects for robust molecular representations. These involve the extension toward new chemical domains, exciting questions at the interface of AI and robust languages, and interpretability for both humans and machines. We hope that these proposals will inspire several follow-up works exploiting the full potential of molecular string representations for the future of AI in chemistry and materials science

La potencialidad de los blogs y foros de climántica en la educación para el cambio climántico

Se valora la experiencia de integración de bitácoras y foros en el aula a través de los proyectos Climaeucambio y Climántica Ciencias para el Mundo Contemporáneo. Las bitácoras y foros actúan como medios para el debate e instrumentos de trabajo y cooperación, facilitando la creación de comunidades de aprendizaje. La utilización de estas herramientas ofrece posibilidades al profesorado para desarrollar iniciativas de investigación-acción que promuevan una participación más activa del alumno y constituyen un instrumento valioso para formar e implantar comunidades de docentes preocupados por la educación ambiental y la concienciación frente al Cambio Climático desde la escuela

Prevalencia de la infección nosocomial en Navarra. Resultados agregados del estudio EPINE 2005

La infección nosocomial es un problema de importante trascendencia en términos de morbi-mortalidad, que según los datos nacionales de prevalencia del año 2003, afectó al 6,5-7% de los pacientes ingresados en los hospitales españoles. Nuestro objetivo es conocer la prevalencia de la infección nosocomial en Navarra a partir de los datos aportados por cada centro participante en el estudio EPINE del año 2005, analizar las características de las infecciones nosocomiales y compararlas con los datos globales de los hospitales españoles. La prevalencia de pacientes con infección nosocomial fue de 5,6% y la prevalencia de pacientes con infección comunitaria de 13,2%. La prevalencia de infección nosocomial, excluidas las adquiridas en un ingreso anterior, fue del 6,2%. La prevalencia de infección comunitaria fue del 14,2%.Nosocomial infection is a serious problem of morbidity and mortality that, according to the 2003 national prevalence data affected 6,5-7% of all the patients admitted in Spanish hospitals. Our aim is to assess the prevalence of nosocomial infection in Navarre, from the aggregated data of each participant in the EPINE (Study of Prevalence of Nosocomial Infection in Spain) in 2005, and to analyse different features of the nosocomial infections to compare them with the global data for Spain. The prevalence of patients with nosocomial infection was 5,6% and the prevalence of patients with community infection was 13,2%. The prevalence of nosocomial infection, excluding those that acquired the nosocomial infection in a previous admission to the hospital, was 6,2%. The prevalence of community infection was 14,2%

Prevalencia de los factores de riesgo cardiovascular en los trabajadores de una fábrica de Navarra

Se ha comunicado una alta prevalencia de los factores de riesgo (FR) cardiovascular en España. El objetivo del estudio es determinar la prevalencia de los principales FR de cardiopatía isquémica (hipercolesterolemia, bajo HDL, consumo de tabaco, hipertensión arterial, hiperglucemia, obesidad y sedentarismo) en población laboral de Navarra. El presente estudio representa la evaluación basal de un ensayo aleatorizado de intervención dirigido a la prevención primaria. La muestra estudiada fue de 790 trabajadores (742 varones y 48 mujeres). Para cada trabajador se recogió información mediante cuestionario estandarizado cumplimentado por el servicio médico de empresa y se le realizó una exploración física. El colesterol total y el HDL se midieron en sangre venosa por autoanalizador enzimático. Se realizó una descripción de los datos (porcentajes de los factores de riesgo y estimación de medias de variables continuas). El 67,2% de la muestra tuvo valores de colesterol total superiores a 200 mg/dl y el 26,3% tuvo cifras de HDL inferiores a 35 mg/dl. El 37,1% eran fumadores habituales. La prevalencia de hipertensos fue del 7,6%. El 72,1% alcanzó un índice de masa corporal superior a 25 Kg/m2 y el 20,6% se clasificó como sedentarios ya que no realizaban ejercicio físico en el tiempo libre. La prevalencia de hiperglucemia fue del 1,4%. Sólo el 4,2% de los trabajadores estaban absolutamente libres de los FR estudiados. Se detectó una elevada prevalencia de hipercolesterolemia, consumo de tabaco y sobrepeso, que apoya la pertinencia de la implantación de programas de intervención de prevención primaria de enfermedades cardiovasculares en el medio laboral.A high prevalence of cardiovascular risk factors (RFs) has been reported in Spain. The aim of the study was to determine the prevalence of the principal RFs of coronary heart disease (hypercholesterolaemia, low HDL, smoking, arterial hypertension, hyperglycaemia, obesity and sedentary behaviour) in the working population of Navarra. The present study represents the first baseline evaluation of a randomised intervention of primary prevention. The sample under study consisted of 790 workers (742 men and 48 women). Information was gathered on each worker by means of a standardised questionnaire, by the company medical service, and a physical check up was carried out. Total cholesterol and HDL were measured in venous blood by enzymatic autoanalyser. A description was made of the data (percentages of the risk factors and estimation of means for continuous variables). 67.2% of the sample had total cholesterol values higher than 200 mg/dl and 26.3% had HDL levels below 35 mg/dl. 37.1% were regular smokers. The prevalence of high blood pressure was 7.6%. 72.1% reached a body mass index above 25 Kg/m2 and 20.6% classified themselves as sedentary as they did not participate in any physical activity during their leisure time. The prevalence of hyperglycaemia was 1.4%. Only 4.2% of the workers were free of the risk factors under study. A high prevalence of hypercholesterolaemia was detected, and overweight, which supports the pertinence of establishing intervention programs of primary prevention of cardiovascular diseases at the work-site