(Q42782024)

7 November 2017

Advancing the activity cliff concept (English)

1 reference

7 November 2017

Jürgen Bajorath

3

0 references

Dagmar Stumpfe

series ordinal

2

object named as

Dagmar Stumpfe

1 reference

7 November 2017

1

Ye Hu

1 reference

PMC publication ID

3869489

7 November 2017

language of work or name

1 reference

30 September 2013

1 reference

7 November 2017

1 reference

7 November 2017

2

1 reference

7 November 2017

199

1 reference

Creative Commons Attribution 3.0 Unported

7 November 2017

start time

30 September 2013

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Do medicinal chemists learn from activity cliffs? A systematic evaluation of cliff progression in evolving compound data sets

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Frequency of occurrence and potency range distribution of activity cliffs in bioactive compounds

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Searching for coordinated activity cliffs using particle swarm optimization

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

PubChem's BioAssay Database

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

ChEMBL: a large-scale bioactivity database for drug discovery

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

From activity cliffs to activity ridges: informative data structures for SAR analysis

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Extended-connectivity fingerprints

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Computationally efficient algorithm to identify matched molecular pairs (MMPs) in large data sets

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

27 May 2018

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

The properties of known drugs. 1. Molecular frameworks

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Recent progress in understanding activity cliffs and their utility in medicinal chemistry.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Compound pathway model to capture SAR progression: comparison of activity cliff-dependent and -independent pathways

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Extending the activity cliff concept: structural categorization of activity cliffs and systematic identification of different types of cliffs in the ChEMBL database

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Systematic identification and classification of three-dimensional activity cliffs

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Exploration of 3D activity cliffs on the basis of compound binding modes and comparison of 2D and 3D cliffs.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

Exploring activity cliffs in medicinal chemistry

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3869489

MMP-Cliffs: systematic identification of activity cliffs on the basis of matched molecular pairs

16 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24555097

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Activity Landscape Representations for Structure−Activity Relationship Analysis

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24555097

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Chemical Similarity Searching

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI9800211

10.12688/F1000RESEARCH.2-199.V1

12 September 2021

Identifiers

DOI

1 reference

7 November 2017

1 reference

PMC publication ID

3869489

7 November 2017

PubMed publication ID

24555097

1 reference

PMC publication ID

3869489