Submit Search
Upload
Camera MainB.PDF
•
0 likes
•
77 views
J
Javier Marto
Follow
Slideshow view
Report
Share
Slideshow view
Report
Share
1 of 3
Download now
Download to read offline
Recommended
Audio Amp - 3D.PDF
Audio Amp - 3D.PDF
Javier Marto
Miguel delibes
Miguel delibes
Miguel delibes
Nohemipazar
День допомоги птахам
годуємо птахів
годуємо птахів
Карлюга Алина
Resume
Resume
Alexis Priola
Camilo José Cela
Camilo josé cela
Camilo josé cela
Nohemipazar
La guerra fría
La guerra fría
La guerra fría
Nohemipazar
pemeriksaan fisik
Kepala wajah dan leher
Kepala wajah dan leher
Widyawati Widyawati
While in an ideal world all data would be deposited by the producing scientist directly into a database, in the real-world most chemical data is instead presented in a form designed for human rather than machine consumption. Text mining has the potential to extract this data back into a computer understandable form. As all United States patents are available free of charge they make the perfect corpus for extracting a large number of experimental properties of compounds, and chemical reactions. We report on our text-mining activities to extract millions of textual NMR spectra, hundreds of thousands of physicochemical properties (with their associated compounds) and over a million chemical reactions. All extracted results are to be deposited into online databases allowing the community to benefit from the results of this work. Using Mestrelab Research’s MNova product we have converted the textual NMR spectra to graphical spectra, and validated each spectrum against its associated chemical structure so as to detect cases where the NMR spectrum could not be produced by the associated structure. In the case of melting points the resultant dataset, of over a quarter of a million melting compound/temperature relationships, is the largest public dataset the authors are aware of. We have used this dataset to produce a predictive model with results comparable to those of manually curated datasets. Our experiences with modelling this data has demonstrated that we are working at the edge of current algorithmic and computing capabilities for predictive model building, with the resultant matrix containing over 200 billion descriptors. The melting point model and the data it was derived from are available freely from http://www.ochem.eu.
Text mining to produce large chemistry datasets for community access
Text mining to produce large chemistry datasets for community access
Valery Tkachenko
Recommended
Audio Amp - 3D.PDF
Audio Amp - 3D.PDF
Javier Marto
Miguel delibes
Miguel delibes
Miguel delibes
Nohemipazar
День допомоги птахам
годуємо птахів
годуємо птахів
Карлюга Алина
Resume
Resume
Alexis Priola
Camilo José Cela
Camilo josé cela
Camilo josé cela
Nohemipazar
La guerra fría
La guerra fría
La guerra fría
Nohemipazar
pemeriksaan fisik
Kepala wajah dan leher
Kepala wajah dan leher
Widyawati Widyawati
While in an ideal world all data would be deposited by the producing scientist directly into a database, in the real-world most chemical data is instead presented in a form designed for human rather than machine consumption. Text mining has the potential to extract this data back into a computer understandable form. As all United States patents are available free of charge they make the perfect corpus for extracting a large number of experimental properties of compounds, and chemical reactions. We report on our text-mining activities to extract millions of textual NMR spectra, hundreds of thousands of physicochemical properties (with their associated compounds) and over a million chemical reactions. All extracted results are to be deposited into online databases allowing the community to benefit from the results of this work. Using Mestrelab Research’s MNova product we have converted the textual NMR spectra to graphical spectra, and validated each spectrum against its associated chemical structure so as to detect cases where the NMR spectrum could not be produced by the associated structure. In the case of melting points the resultant dataset, of over a quarter of a million melting compound/temperature relationships, is the largest public dataset the authors are aware of. We have used this dataset to produce a predictive model with results comparable to those of manually curated datasets. Our experiences with modelling this data has demonstrated that we are working at the edge of current algorithmic and computing capabilities for predictive model building, with the resultant matrix containing over 200 billion descriptors. The melting point model and the data it was derived from are available freely from http://www.ochem.eu.
Text mining to produce large chemistry datasets for community access
Text mining to produce large chemistry datasets for community access
Valery Tkachenko
pengobatan luka bakar
pengobatan luka bakar
Gek Mayang
Discussing how behaviour and principles can support Operational Excellence to predict and realise the pursued future outcomes. Emphasis is given to illustrate how Hoshin-Kanri and Shingo frameworks can be integrated to provide a target operating model to actively drive strategy and sustain operational performance.
Operational Excellence: A Strategic Enterprise Enabler
Operational Excellence: A Strategic Enterprise Enabler
raz_chaudary
En el ramo de la Podología es de gran importancia conocer datos etiopatológicos, factores de riesgo, signos y síntomas, diagnóstico y tratamiento de la Diabetes Mellitus tipo 1 y 2. La actual presentación elaborada por alumnos de 3er semestre de la Licenciatura en Podología del Centro de Estudios Superiores Salvador Allende de Tlaxcala, nos da un panorama general de esta enfermedad crónica degenerativa que aqueja a la población Mexicana y a nivel Mundial.
Diabetes Mellitus Tipo 1 y 2
Diabetes Mellitus Tipo 1 y 2
Jair Muñoz
OpenPHACTS - Chemistry Platform Update and Learnings
OpenPHACTS - Chemistry Platform Update and Learnings
OpenPHACTS - Chemistry Platform Update and Learnings
Valery Tkachenko
KIRON REV A - 3d.PDF
KIRON REV A - 3d.PDF
Javier Marto
The Open PHACTS project delivers an online platform integrating a wide variety of data from across chemistry and the life sciences and an ecosystem of tools and services to query this data in support of pharmacological research, turning the semantic web from a research project into something that can be used by practising medicinal chemists in both academia and industry. In the summer of 2015 it was the first winner of the European Linked Data Award. At the Royal Society of Chemistry we have provided the chemical underpinnings to this system and in this talk we review its development over the past five years. We cover both our early work on semantic modelling of chemistry data for the Open PHACTS triplestore and more recent work building an all-purpose data platform, for which the Open PHACTS data has been an important test case, what has worked well, what's missing and where this is is likely to go in future.
Implementing chemistry platform for OpenPHACTS
Implementing chemistry platform for OpenPHACTS
Valery Tkachenko
Spanish Second Republic and Spanish Civil War
Second republic and scw
Second republic and scw
Juan Carlos Ocaña
More Related Content
Viewers also liked
pengobatan luka bakar
pengobatan luka bakar
Gek Mayang
Discussing how behaviour and principles can support Operational Excellence to predict and realise the pursued future outcomes. Emphasis is given to illustrate how Hoshin-Kanri and Shingo frameworks can be integrated to provide a target operating model to actively drive strategy and sustain operational performance.
Operational Excellence: A Strategic Enterprise Enabler
Operational Excellence: A Strategic Enterprise Enabler
raz_chaudary
En el ramo de la Podología es de gran importancia conocer datos etiopatológicos, factores de riesgo, signos y síntomas, diagnóstico y tratamiento de la Diabetes Mellitus tipo 1 y 2. La actual presentación elaborada por alumnos de 3er semestre de la Licenciatura en Podología del Centro de Estudios Superiores Salvador Allende de Tlaxcala, nos da un panorama general de esta enfermedad crónica degenerativa que aqueja a la población Mexicana y a nivel Mundial.
Diabetes Mellitus Tipo 1 y 2
Diabetes Mellitus Tipo 1 y 2
Jair Muñoz
OpenPHACTS - Chemistry Platform Update and Learnings
OpenPHACTS - Chemistry Platform Update and Learnings
OpenPHACTS - Chemistry Platform Update and Learnings
Valery Tkachenko
KIRON REV A - 3d.PDF
KIRON REV A - 3d.PDF
Javier Marto
The Open PHACTS project delivers an online platform integrating a wide variety of data from across chemistry and the life sciences and an ecosystem of tools and services to query this data in support of pharmacological research, turning the semantic web from a research project into something that can be used by practising medicinal chemists in both academia and industry. In the summer of 2015 it was the first winner of the European Linked Data Award. At the Royal Society of Chemistry we have provided the chemical underpinnings to this system and in this talk we review its development over the past five years. We cover both our early work on semantic modelling of chemistry data for the Open PHACTS triplestore and more recent work building an all-purpose data platform, for which the Open PHACTS data has been an important test case, what has worked well, what's missing and where this is is likely to go in future.
Implementing chemistry platform for OpenPHACTS
Implementing chemistry platform for OpenPHACTS
Valery Tkachenko
Spanish Second Republic and Spanish Civil War
Second republic and scw
Second republic and scw
Juan Carlos Ocaña
Viewers also liked
(7)
pengobatan luka bakar
pengobatan luka bakar
Operational Excellence: A Strategic Enterprise Enabler
Operational Excellence: A Strategic Enterprise Enabler
Diabetes Mellitus Tipo 1 y 2
Diabetes Mellitus Tipo 1 y 2
OpenPHACTS - Chemistry Platform Update and Learnings
OpenPHACTS - Chemistry Platform Update and Learnings
KIRON REV A - 3d.PDF
KIRON REV A - 3d.PDF
Implementing chemistry platform for OpenPHACTS
Implementing chemistry platform for OpenPHACTS
Second republic and scw
Second republic and scw
Download now