(Q33611814)

28 July 2017

On the validity versus utility of activity landscapes: are all activity cliffs statistically significant? (English)

1 reference

28 July 2017

1 reference

José L. Medina-Franco

series ordinal

2

object named as

José L Medina-Franco

1 reference

28 July 2017

Rajarshi Guha

1

1 reference

PubMed ID

24694189

28 July 2017

language of work or name

1 reference

2 April 2014

1 reference

Journal of Cheminformatics

28 July 2017

1 reference

28 July 2017

6

1 reference

28 July 2017

11

1 reference

Creative Commons Attribution 2.0 Generic

28 July 2017

start time

2 April 2014

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

describes a project that uses

ggplot2

object named as

ggplot2

1 reference

CZ Software Mentions: A large dataset of software mentions in the biomedical literature

exact match

https://scigraph.springernature.com/pub.10.1186/1758-2946-6-11

0 references

cites work

Exploring Structure-Activity Data Using the Landscape Paradigm

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

Activity cliffs: facts or artifacts?

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

Combination of similarity rankings using data fusion

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

Scanning structure-activity relationships with structure-activity similarity and related maps: from consensus activity cliffs to selectivity switches

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

Exploring uncharted territories: predicting activity cliffs in structure-activity landscapes

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

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=4021161

SAR monitoring of evolving compound data sets using activity landscapes

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

The ups and downs of structure-activity landscapes

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

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=4021161

Structure−Activity Landscape Index: Identifying and Quantifying 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=4021161

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

Why do we need so many chemical similarity search methods?

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4021161

SAR index: quantifying the nature of structure-activity relationships.

21 June 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-11

Exploring activity cliffs in medicinal chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-11

Chemical substitutions that introduce activity cliffs across different compound classes and biological targets

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-11

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-11

SAR transfer across different targets.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-11

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-11

Synthesis and biological activity of 2-(trifluoromethyl)-1H-benzimidazole derivatives against some protozoa and Trichinella spiralis

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-11

Antiprotozoal activity of proton-pump inhibitors.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-11

Synthesis, and antiprotozoal and antibacterial activities of S-substituted 4,6-dibromo- and 4,6-dichloro-2-mercaptobenzimidazoles

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-11

Design of multitarget activity landscapes that capture hierarchical activity cliff distributions

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-6-11

Bioactivity landscape modeling: chemoinformatic characterization of structure-activity relationships of compounds tested across multiple targets

21 January 2018

1 reference

12 December 2020

Molecular similarity measures

1 reference

12 December 2020

Assessing how well a modeling protocol captures a structure-activity landscape

1 reference

12 December 2020

Consensus models of activity landscapes with multiple chemical, conformer, and property representations

1 reference

12 December 2020

Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments

1 reference

12 December 2020

On the Kolmogorov-Smirnov Limit Theorems for Empirical Distributions

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-6-11

2 January 2022

Identifiers

DOI

10.1186/1758-2946-6-11

1 reference

journals/jcheminf/GuhaM14

28 July 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

28 July 2017

1 reference

PubMed ID

24694189