(Q27321430)

26 June 2017

title

Badapple: promiscuity patterns from noisy evidence (English)

1 reference

26 June 2017

0 references

0 references

Christopher A. Lipinski

object named as

Christopher A Lipinski

3

0 references

Tudor I Oprea

object named as

Tudor I Oprea

5

0 references

Larry Sklar

4

object named as

Larry A Sklar

1 reference

26 June 2017

6

Cristian G Bologa

1 reference

26 June 2017

Jeremy J Yang

1

1 reference

26 June 2017

Oleg Ursu

2

1 reference

26 June 2017

language of work or name

English

0 references

publication date

28 May 2016

1 reference

Journal of Cheminformatics

26 June 2017

published in

1 reference

26 June 2017

volume

8

1 reference

26 June 2017

issue

1

0 references

page(s)

29

1 reference

An Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and Disciplines

26 June 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Formalization, annotation and analysis of diverse drug and probe screening assay datasets using the BioAssay Ontology (BAO)

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

A crowdsourcing evaluation of the NIH chemical probes

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays

21 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Ligand efficiency: a useful metric for lead selection

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

The promise and peril of chemical probes

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

The University of New Mexico Center for Molecular Discovery

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Cheminformatics aspects of high throughput screening: from robots to models: symposium summary

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Polypharmacology Directed Compound Data Mining: Identification of Promiscuous Chemotypes with Different Activity Profiles and Comparison to Approved Drugs

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

A decade of fragment-based drug design: strategic advances and lessons learned

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Strategies for compound selection

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

HierS: hierarchical scaffold clustering using topological chemical graphs

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

NIH Molecular Libraries Initiative

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

A specific mechanism of nonspecific inhibition

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Development of a virtual screening method for identification of "frequent hitters" in compound libraries

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Is there a difference between leads and drugs? A historical perspective

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Molecular complexity and its impact on the probability of finding leads for drug discovery

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

The Design of Leadlike Combinatorial Libraries

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Can we learn to distinguish between "drug-like" and "nondrug-like" molecules?

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

The properties of known drugs. 1. Molecular frameworks

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4884375

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

31 May 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0137-3

A scoring scheme for discriminating between drugs and nondrugs.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0137-3

Strategic Pooling of Compounds for High-Throughput Screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0137-3

ALARM NMR: a rapid and robust experimental method to detect reactive false positives in biochemical screens

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0137-3

Toxicological evaluation of thiol-reactive compounds identified using a la assay to detect reactive molecules by nuclear magnetic resonance

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0137-3

Genotoxic activation of 2-phenylbenzotriazole-type compounds by human cytochrome P4501A1 and N-acetyltransferase expressed in Salmonella typhimurium umu strains

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0137-3

Molecular biology. Industrial-style screening meets academic biology

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27239230

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Investigation of the Relationship between Topology and Selectivity for Druglike Molecules

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27239230

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Reactive compounds and in vitro false positives in HTS

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0137-3

10.1186/S13321-016-0137-3

5 February 2023

Identifiers

DOI

1 reference

journals/jcheminf/YangULSOB16

26 June 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/s13321-016-0137-3

OpenCitations bibliographic resource ID

1213794

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

1213794

1 reference