Expanding the fragrance chemical space for virtual screening (Q33682352)

28 July 2017

title

Expanding the fragrance chemical space for virtual screening (English)

1 reference

28 July 2017

1 reference

3

Jean-Louis Reymond

0 references

Mahendra Awale

series ordinal

2

object named as

Mahendra Awale

1 reference

28 July 2017

Lars Ruddigkeit

1

1 reference

28 July 2017

publication date

22 May 2014

1 reference

Journal of Cheminformatics

28 July 2017

published in

1 reference

28 July 2017

volume

6

1 reference

28 July 2017

page(s)

27

1 reference

Creative Commons Attribution 4.0 International

28 July 2017

copyright license

start time

22 May 2014

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

cites work

Discovery of potent positive allosteric modulators of the α3β2 nicotinic acetylcholine receptor by a chemical space walk in ChEMBL.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Expanding the olfactory code by in silico decoding of odor-receptor chemical space

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic molecules

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Steviol glycosides: chemical diversity, metabolism, and function

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Druggable chemical space and enumerative combinatorics

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Odor classification: a review of factors influencing perception-based odor arrangements

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Visualization and virtual screening of the chemical universe database GDB-17.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Chemoinformatic analysis of GRAS (Generally Recognized as Safe) flavor chemicals and natural products

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Exploring chemical space for drug discovery using the chemical universe database

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

ZINC: a free tool to discover chemistry for biology

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Modeling of activity landscapes for drug discovery

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Exploring the chemical space of known and unknown organic small molecules at www.gdb.unibe.ch

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Discovery of α7-nicotinic receptor ligands by virtual screening of the chemical universe database GDB-13.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

New insights into the characteristics of sweet and bitter taste receptors

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

ChEMBL: a large-scale bioactivity database for drug discovery

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

BitterDB: a database of bitter compounds

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Visual characterization and diversity quantification of chemical libraries: 1. creation of delimited reference chemical subspaces

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

SuperSweet--a resource on natural and artificial sweetening agents

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Cheminformatics approaches to analyze diversity in compound screening libraries.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Extended-connectivity fingerprints

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Molecular Shape and Medicinal Chemistry: A Perspective

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Chemoinformatics-applications in food chemistry

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Dual activities of odorants on olfactory and nuclear hormone receptors

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

PubChem: a public information system for analyzing bioactivities of small molecules

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Novel chemical space exploration via natural products

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

SuperScent--a database of flavors and scents

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

The search for innovative fragrant molecules

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Public chemical compound databases

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

The search for new fragrance ingredients for functional perfumery

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

On the unpredictability of odor

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Information processing in the mammalian olfactory system

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

The human sense of smell: are we better than we think?

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

A ‘Rule of Three’ for fragment-based lead discovery?

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Chemography: the art of navigating in chemical space.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Odds and Trends: Recent Developments in the Chemistry of Odorants Note on trademarks: Words which we know or have reason to believe constitute registered trademarks (R) are designated as such. However, neither the presence nor absence of such design

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Combinatorial receptor codes for odors

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

A novel multigene family may encode odorant receptors: a molecular basis for odor recognition

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4037718

Selective deficits in the sense of smell caused by chemical modification of the olfactory epithelium

21 June 2018

1 reference

Crossref

https://api.crossref.org/works/10.1186%2F1758-2946-6-27

A searchable map of PubChem

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1186%2F1758-2946-6-27

Visualisation and subsets of the chemical universe database GDB-13 for virtual screening

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1186%2F1758-2946-6-27

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-27

Virtual exploration of the small-molecule chemical universe below 160 Daltons

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24876890

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Classification of organic molecules by molecular quantum numbers

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24876890

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The enumeration of chemical space

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-6-27

Chemical space as a source for new drugs

2 January 2022

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-6-27

2 January 2022

1 reference

14 October 2024

https://opencitations.net/index/api/v1/references/10.1186/1758-2946-6-27

Identifiers

DOI

10.1186/1758-2946-6-27

1 reference

journals/jcheminf/RuddigkeitAR14

28 July 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

https://scigraph.springernature.com/pub.10.1186/1758-2946-6-27

9 September 2019

1 reference

28 July 2017

1 reference