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Scaffold-hopping potential of ligand-based similarity concepts
scientific article published on 01 February 2006
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1 reference
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Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
title
Scaffold-hopping potential of ligand-based similarity concepts
(English)
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
author
Gisbert Schneider
series ordinal
2
object named as
Gisbert Schneider
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
author name string
Steffen Renner
series ordinal
1
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
publication date
1 February 2006
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
published in
ChemMedChem
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
volume
1
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
issue
2
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
page(s)
181-185
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
cites work
Computer-based de novo design of drug-like molecules
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200500005
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Virtual Screening for Bioactive Molecules by Evolutionary De Novo Design Special thanks to Neil R. Taylor for his help in preparation of the manuscript
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200500005
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Scaffold hopping
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200500005
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200500005
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7 January 2021
based on heuristic
inferred from DOI database lookup
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
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Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200500005
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7 January 2021
based on heuristic
inferred from DOI database lookup
Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors
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7 January 2021
based on heuristic
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3-D pharmacophores in drug discovery
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Crossref
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https://api.crossref.org/works/10.1002%2FCMDC.200500005
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7 January 2021
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Scaffold hopping and optimization towards libraries of glycogen synthase kinase-3 inhibitors
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7 January 2021
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New allosteric modulators of metabotropic glutamate receptor 5 (mGluR5) found by ligand-based virtual screening
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7 January 2021
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New inhibitors of the Tat-TAR RNA interaction found with a "fuzzy" pharmacophore model
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7 January 2021
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The properties of known drugs. 1. Molecular frameworks
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Crossref
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7 January 2021
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Scaffold architecture and pharmacophoric properties of natural products and trade drugs: application in the design of natural product-based combinatorial libraries
1 reference
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Crossref
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7 January 2021
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Development of a pharmacophore model for histamine H3 receptor antagonists, using the newly developed molecular modeling program SLATE.
1 reference
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Crossref
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https://api.crossref.org/works/10.1002%2FCMDC.200500005
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7 January 2021
based on heuristic
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Scaffold hopping in de novo design. Ligand generation in the absence of receptor information.
1 reference
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Crossref
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https://api.crossref.org/works/10.1002%2FCMDC.200500005
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7 January 2021
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A validation study on the practical use of automated de novo design.
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Crossref
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7 January 2021
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Chemical Similarity Searching
1 reference
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Crossref
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https://api.crossref.org/works/10.1002%2FCMDC.200500005
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7 January 2021
based on heuristic
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Comparison of correlation vector methods for ligand-based similarity searching.
1 reference
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Crossref
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7 January 2021
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Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT 3D).
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Crossref
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7 January 2021
based on heuristic
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QSAR and QSPR based solely on surface properties?
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200500005
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7 January 2021
based on heuristic
inferred from DOI database lookup
Algorithm for naming molecular equivalence classes represented by labeled pseudographs.
1 reference
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Crossref
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7 January 2021
based on heuristic
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Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.200500005
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Identifiers
DOI
10.1002/CMDC.200500005
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
PubMed publication ID
16892349
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16892349
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16892349%20AND%20SRC:MED&resulttype=core&format=json
retrieved
28 December 2019
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