Lista de obras - Evan E. Bolton - Dominio Público Uruguay

A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database

artículo científico publicado en 2023

Adding open spectral data to MassBank and PubChem using open source tools to support non-targeted exposomics of mixtures

artículo científico publicado en 2023

An overview of the PubChem BioAssay resource

artículo científico publicado en 2010

An update on PUG-REST: RESTful interface for programmatic access to PubChem.

artículo científico publicado en 2018

Assessment of conformational ensemble sizes necessary for specific resolutions of coverage of conformational space

artículo científico publicado en 2007

Automated annotation of chemical names in the literature with tunable accuracy

artículo científico publicado en 2011

BioHackJP 2023 Report R4: integration of glyco data with chemo-, geno-, lipid-omics and pathway data

BioHackathon 2015: Semantics of data for life sciences and reproducible research

artículo científico publicado en 2020

CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community

artículo científico publicado en 2022

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

artículo científico publicado en 2016

Database resources of the National Center for Biotechnology Information

artículo científico publicado en 2012

Database resources of the National Center for Biotechnology Information

artículo científico publicado en 2011

Database resources of the National Center for Biotechnology Information

artículo científico publicado en 2010

Database resources of the National Center for Biotechnology Information

artículo científico publicado en 2019

Dataset for "Multidimensional library for the improved identification of per- and polyfluoroalkyl substances (PFAS)"

Discovering pesticides and their TPs in Luxembourg waters using open cheminformatics approaches

artículo científico publicado en 2022

Disease Ontology 2015 update: an expanded and updated database of human diseases for linking biomedical knowledge through disease data

artículo científico publicado en 2015

ELIXIR and Toxicology: a community in development

artículo científico publicado en 2023

Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis

artículo científico publicado en 2012

Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag

artículo científico publicado en 2021

FAIR chemical structures in the Journal of Cheminformatics

FAIR-ifying the Exposome Journal: Templates for Chemical Structures and Transformations

artículo científico publicado en 2021

Fast 3D shape screening of large chemical databases through alignment-recycling

artículo científico publicado en 2007

Finding Potential Multitarget Ligands Using PubChem

artículo científico publicado en 2018

InChI version 1.06: now more than 99.99% reliable

artículo científico publicado en 2021

Literature information in PubChem: associations between PubChem records and scientific articles

artículo científico publicado en 2016

Multidimensional library for the improved identification of per- and polyfluoroalkyl substances (PFAS)

artículo científico publicado en 2025

On the need for an international effort to capture, share and use crystallization screening data

artículo científico publicado en 2012

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop

artículo científico publicado en 2016

PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem

artículo científico publicado en 2015

PUG-View: programmatic access to chemical annotations integrated in PubChem

artículo científico publicado en 2019

Predicting drug target interactions using meta-path-based semantic network analysis

artículo científico publicado en 2016

PubChem 2019 update: improved access to chemical data

artículo científico publicado en 2018

PubChem 2023 update

artículo científico publicado en 2022

PubChem 2025 update

artículo científico publicado en 2024

PubChem Substance and Compound databases

artículo científico publicado en 2016

PubChem atom environments

artículo científico publicado en 2015

PubChem chemical structure standardization

PubChem structure–activity relationship (SAR) clusters

artículo científico publicado en 2015

PubChem's BioAssay Database

artículo científico publicado en 2011

PubChem3D: Biologically relevant 3-D similarity

artículo científico publicado en 2011

PubChem3D: Conformer generation

artículo científico publicado en 2011

PubChem3D: Diversity of shape

artículo científico publicado en 2011

PubChem3D: Shape compatibility filtering using molecular shape quadrupoles

artículo científico publicado en 2011

PubChem3D: Similar conformers

artículo científico publicado en 2011

PubChem3D: a new resource for scientists

artículo científico publicado en 2011

PubChem3D: conformer ensemble accuracy

artículo científico publicado en 2013

PubChem: Integrated Platform of Small Molecules and Biological Activities

artículo científico publicado en 2008

PubChem: atom environments for molecule standardization

PubChemLite tier0 and tier1

data set

PubChemRDF: towards the semantic annotation of PubChem compound and substance databases ⬇️

artículo científico

Reporting biological assay screening results for maximum impact

artículo científico publicado en 2015

Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets

artículo científico publicado en 2016

Symbol Nomenclature for Graphical Representations of Glycans

artículo científico publicado en 2015

Ten simple rules to run a successful BioHackathon

artículo científico publicado en 2020

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

artículo científico publicado en 2022

The PubChem chemical structure sketcher

artículo científico publicado en 2009

Updates to the Symbol Nomenclature for Glycans guidelines

scientific article published on 01 August 2019

Lista de obras de Evan E. Bolton

A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database

Adding open spectral data to MassBank and PubChem using open source tools to support non-targeted exposomics of mixtures

An overview of the PubChem BioAssay resource

An update on PUG-REST: RESTful interface for programmatic access to PubChem.

Assessment of conformational ensemble sizes necessary for specific resolutions of coverage of conformational space

Automated annotation of chemical names in the literature with tunable accuracy

BioHackJP 2023 Report R4: integration of glyco data with chemo-, geno-, lipid-omics and pathway data

BioHackathon 2015: Semantics of data for life sciences and reproducible research

CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

Database resources of the National Center for Biotechnology Information

Database resources of the National Center for Biotechnology Information

Database resources of the National Center for Biotechnology Information

Database resources of the National Center for Biotechnology Information

Dataset for "Multidimensional library for the improved identification of per- and polyfluoroalkyl substances (PFAS)"

Discovering pesticides and their TPs in Luxembourg waters using open cheminformatics approaches

Disease Ontology 2015 update: an expanded and updated database of human diseases for linking biomedical knowledge through disease data

ELIXIR and Toxicology: a community in development

Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis

Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag

FAIR chemical structures in the Journal of Cheminformatics

FAIR-ifying the Exposome Journal: Templates for Chemical Structures and Transformations

Fast 3D shape screening of large chemical databases through alignment-recycling

Finding Potential Multitarget Ligands Using PubChem

InChI version 1.06: now more than 99.99% reliable

Literature information in PubChem: associations between PubChem records and scientific articles

Multidimensional library for the improved identification of per- and polyfluoroalkyl substances (PFAS)

On the need for an international effort to capture, share and use crystallization screening data

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop

PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem

PUG-View: programmatic access to chemical annotations integrated in PubChem

Predicting drug target interactions using meta-path-based semantic network analysis

PubChem 2019 update: improved access to chemical data

PubChem 2023 update

PubChem 2025 update

PubChem Substance and Compound databases

PubChem atom environments

PubChem chemical structure standardization

PubChem structure–activity relationship (SAR) clusters

PubChem's BioAssay Database

PubChem3D: Biologically relevant 3-D similarity

PubChem3D: Conformer generation

PubChem3D: Diversity of shape

PubChem3D: Shape compatibility filtering using molecular shape quadrupoles

PubChem3D: Similar conformers

PubChem3D: a new resource for scientists

PubChem3D: conformer ensemble accuracy

PubChem: Integrated Platform of Small Molecules and Biological Activities

PubChem: atom environments for molecule standardization

PubChemLite tier0 and tier1

PubChemRDF: towards the semantic annotation of PubChem compound and substance databases ⬇️

Reporting biological assay screening results for maximum impact

Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets

Symbol Nomenclature for Graphical Representations of Glycans

Ten simple rules to run a successful BioHackathon

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

The PubChem chemical structure sketcher

Updates to the Symbol Nomenclature for Glycans guidelines