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List of works by Evan E. Bolton

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

scientific article published on 19 December 2023

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

scientific article published in 2023

An overview of the PubChem BioAssay resource

scientific article (publication date: 2010)

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

scientific article published in July 2018

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

scientific article

Automated annotation of chemical names in the literature with tunable accuracy

scientific article (publication date: 22 November 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

scientific article published on 24 February 2020

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

scientific article published on 13 May 2022

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

scientific article (publication date: 4 November 2016)

Database resources of the National Center for Biotechnology Information

scientific article (published 2012-01-01)

Database resources of the National Center for Biotechnology Information

scientific article

Database resources of the National Center for Biotechnology Information

scientific article (published 2010-01-01)

Database resources of the National Center for Biotechnology Information

scientific article published on 01 January 2019

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

scientific article published in 2022

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

scientific article

ELIXIR and Toxicology: a community in development

scientific article published on 3 October 2023

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

scientific article

Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag

scientific article published on 08 March 2021

FAIR chemical structures in the Journal of Cheminformatics

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

scientific article

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

scientific article

Finding Potential Multitarget Ligands Using PubChem

scientific article published on 01 January 2018

InChI version 1.06: now more than 99.99% reliable

scientific article

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

scientific article

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

scientific article (publication date: March 2012)

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

scientific article

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

scientific article published on 30 April 2015

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

scientific article published on 09 August 2019

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

scientific article

PubChem 2019 update: improved access to chemical data

scientific article published on 26 October 2018

PubChem 2023 update

scientific article published on 28 October 2022

PubChem 2025 update

scientific article published on 18 November 2024

PubChem Substance and Compound databases

scientific article (publication date: 4 January 2016)

PubChem atom environments

scientific article (publication date: 2015)

PubChem chemical structure standardization

PubChem structure–activity relationship (SAR) clusters

scientific article (publication date: 2015)

PubChem's BioAssay Database

scientific article

PubChem3D: Biologically relevant 3-D similarity

scientific article

PubChem3D: Conformer generation

scientific article (publication date: 27 January 2011)

PubChem3D: Diversity of shape

scientific article

PubChem3D: Shape compatibility filtering using molecular shape quadrupoles

scientific article

PubChem3D: Similar conformers

scientific article

PubChem3D: a new resource for scientists

scientific article

PubChem3D: conformer ensemble accuracy

scientific article

PubChem: Integrated Platform of Small Molecules and Biological Activities

scientific article (publication date: 2008)

PubChem: atom environments for molecule standardization

PubChemLite tier0 and tier1

data set

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

Article in the Journal of Cheminformatics.

Reporting biological assay screening results for maximum impact

scientific article

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

scientific article (publication date: 4 November 2016)

Symbol Nomenclature for Graphical Representations of Glycans

scientific article

Ten simple rules to run a successful BioHackathon

scientific article published on 07 May 2020

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

scientific article published on 21 October 2022

The PubChem chemical structure sketcher

scientific article (publication date: 17 December 2009)

Updates to the Symbol Nomenclature for Glycans guidelines

scientific article published on 01 August 2019

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