(Q34435458)

25163000

2 August 2017

title

The essential roles of chemistry in high-throughput screening triage (English)

1 reference

2 August 2017

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25163000%20AND%20SRC:MED&resulttype=core&format=json

6 June 2020

author name string

Jayme L Dahlin

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25163000%20AND%20SRC:MED&resulttype=core&format=json

6 June 2020

language of work or name

1 reference

1 July 2014

1 reference

25163000

Future Medicinal Chemistry

2 August 2017

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25163000%20AND%20SRC:MED&resulttype=core&format=json

6 June 2020

volume

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25163000%20AND%20SRC:MED&resulttype=core&format=json

6 June 2020

issue

11

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25163000%20AND%20SRC:MED&resulttype=core&format=json

6 June 2020

page(s)

1265-1290

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25163000%20AND%20SRC:MED&resulttype=core&format=json

Metal impurities cause false positives in high-throughput screening campaigns

6 June 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Drug discovery 2012 and beyond

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Identification of Small-Molecule Frequent Hitters from AlphaScreen High-Throughput Screens

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Chemical predictive modelling to improve compound quality

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

A cell-free fluorometric high-throughput screen for inhibitors of Rtt109-catalyzed histone acetylation

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

HPLC method development, validation and impurity characterization for an antitumor Hsp90 inhibitor-PU-H71 (NSC 750424).

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

The ChEMBL bioactivity database: an update

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Identification, isolation and characterization of process related impurities in ezetimibe

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Combining computational methods for hit to lead optimization in Mycobacterium tuberculosis drug discovery

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Inhibition of histo-blood group antigen binding as a novel strategy to block norovirus infections

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Screening and characterization of reactive compounds with in vitro peptide-trapping and liquid chromatography/high-resolution accurate mass spectrometry.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Regulation of ataxin-1 phosphorylation and its impact on biology

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

NIPTE: a multi-university partnership supporting academic drug development

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Hit identification and optimization in virtual screening: practical recommendations based on a critical literature analysis

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Identification of DNMT1 selective antagonists using a novel scintillation proximity assay

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

What is the likelihood of an active compound to be promiscuous? Systematic assessment of compound promiscuity on the basis of PubChem confirmatory bioassay data

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Structure-guided design of a selective BCL-X(L) inhibitor

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Development of Highly Potent and Selective Diaminothiazole Inhibitors of Cyclin-Dependent Kinases

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Ligand efficiency indices for effective drug discovery

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

High-throughput screening for growth inhibitors using a yeast model of familial paraganglioma

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

High-throughput identification of promiscuous inhibitors from screening libraries with the use of a thiol-containing fluorescent probe

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

The holistic integration of virtual screening in drug discovery

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Approaches to virtual screening and screening library selection.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Inside the mind of a medicinal chemist: the role of human bias in compound prioritization during drug discovery

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Shaping a screening file for maximal lead discovery efficiency and effectiveness: elimination of molecular redundancy.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Chemical structure of Retro-2, a compound that protects cells against ribosome-inactivating proteins

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Early phase drug discovery: cheminformatics and computational techniques in identifying lead series

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Discovery of novel vascular endothelial growth factor receptor 2 inhibitors: a virtual screening approach

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Small molecule screening identifies regulators of the transcription factor ΔFosB

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Moving beyond rules: the development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Abbott Physicochemical Tiering (APT)--a unified approach to HTS triage

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Drug discovery for a new generation of covalent drugs

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Rhodanine as a scaffold in drug discovery: a critical review of its biological activities and mechanisms of target modulation.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Identification of a Novel Family of BRAF V600E Inhibitors

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Going further than Lipinski's rule in drug design

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Recognizing pitfalls in virtual screening: a critical review

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

The challenges involved in modeling toxicity data in silico: a review

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Receptor-ligand interaction-based virtual screening for novel Eg5/kinesin spindle protein inhibitors

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Quantifying the chemical beauty of drugs.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Discovery and synthesis of hydronaphthoquinones as novel proteasome inhibitors

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Discovering potent inhibitors against c-Met kinase: molecular design, organic synthesis and bioassay

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

An efficient high-throughput screening method for MYST family acetyltransferases, a new class of epigenetic drug targets

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

PubChem promiscuity: a web resource for gathering compound promiscuity data from PubChem

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Redox-based inactivation of cysteine cathepsins by compounds containing the 4-aminophenol moiety

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Introduction to fragment-based drug discovery

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

US academic drug discovery

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Observations on screening-based research and some concerning trends in the literature

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Impact of metal-induced degradation on the determination of pharmaceutical compound purity and a strategy for mitigation

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

An NMR spectroscopic method to identify and classify thiol-trapping agents: revival of Michael acceptors for drug discovery?

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Redox cycling compounds generate H2O2 in HTS buffers containing strong reducing reagents--real hits or promiscuous artifacts?

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

False positives in the early stages of drug discovery

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Experimental design and statistical methods for improved hit detection in high-throughput screening.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

An economic framework to prioritize confirmatory tests after a high-throughput screen.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Apparent activity in high-throughput screening: origins of compound-dependent assay interference

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

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

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Profiling the NIH Small Molecule Repository for compounds that generate H2O2 by redox cycling in reducing environments

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

A case study from the chemistry core of the Pittsburgh Molecular Library Screening Center: the Polo-like kinase polo-box domain (Plk1-PBD).

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Hill coefficients, dose-response curves and allosteric mechanisms

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Extraction of structure-activity relationship information from high-throughput screening data

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

From fragment screening to potent binders: strategies for fragment-to-lead evolution

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

A survey of across-target bioactivity results of small molecules in PubChem

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

A crowdsourcing evaluation of the NIH chemical probes

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

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

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Promiscuous aggregate-based inhibitors promote enzyme unfolding

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Chemical probes that competitively and selectively inhibit Stat3 activation

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Mechanism of PTC124 activity in cell-based luciferase assays of nonsense codon suppression

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Stability of screening compounds in wet DMSO.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Drug discovery: new models for industry-academic partnerships

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Development of a 384-well colorimetric assay to quantify hydrogen peroxide generated by the redox cycling of compounds in the presence of reducing agents

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Characterization of chemical libraries for luciferase inhibitory activity

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Fluorescence spectroscopic profiling of compound libraries

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

An integrated approach to fragment-based lead generation: philosophy, strategy and case studies from AstraZeneca's drug discovery programmes.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Identification of a bioactive impurity in a commercial sample of 6-methyl-2-p-tolylaminobenzo[d][1,3]oxazin-4-one (URB754).

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Enhancement of chemical rules for predicting compound reactivity towards protein thiol groups

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Triage in medicine, part I: Concept, history, and types

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Triage in medicine, part II: Underlying values and principles

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Quantitative high-throughput screening: a titration-based approach that efficiently identifies biological activities in large chemical libraries

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Hit discovery and hit-to-lead approaches

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Methods for mining HTS data

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

HTS-Corrector: software for the statistical analysis and correction of experimental high-throughput screening data

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

A collaborative hit-to-lead investigation leveraging medicinal chemistry expertise with high throughput library design, synthesis and purification capabilities

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Statistical practice in high-throughput screening data analysis

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Novel statistical approach for primary high-throughput screening hit selection

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

In situ DMSO hydration measurements of HTS compound libraries

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

ZINC--a free database of commercially available compounds for virtual screening

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Assessment of the consistency of medicinal chemists in reviewing sets of compounds.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

High-throughput characterization and quality control of small-molecule combinatorial libraries

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Ligand efficiency: a useful metric for lead selection

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Improved statistical methods for hit selection in high-throughput screening

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Statistical and graphical methods for quality control determination of high-throughput screening data

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

A specific mechanism of nonspecific inhibition

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Effect of detergent on "promiscuous" inhibitors

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Hit and lead generation: beyond high-throughput screening

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Designing screens: how to make your hits a hit.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

The protein kinase complement of the human genome

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Molecular properties that influence the oral bioavailability of drug candidates

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

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

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

A Simple Statistical Parameter for Use in Evaluation and Validation of High Throughput Screening Assays

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Inhibition of protein kinases by balanol: specificity within the serine/threonine protein kinase subfamily

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

Compounds capable of generating singlet oxygen represent a source of artifactual data in scintillation proximity assays measuring phosphopeptide binding to SH2 domains

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465542

UK academic drug discovery

6 July 2018

1 reference

The influence of drug-like concepts on decision-making in medicinal chemistry

21 January 2018

1 reference

Broad coverage of commercially available lead-like screening space with fewer than 350,000 compounds

21 January 2018

1 reference

Escape from flatland: increasing saturation as an approach to improving clinical success

21 January 2018

1 reference

Combinatorial Organic Synthesis Using Parke-Davis's DIVERSOMER Method

21 January 2018

1 reference

Impact of high-throughput screening in biomedical research

21 January 2018

1 reference

Correction for interference by test samples in high-throughput assays

21 January 2018

1 reference

KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries

21 January 2018

1 reference

Rules for identifying potentially reactive or promiscuous compounds

21 January 2018

1 reference

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

21 January 2018

1 reference

A high-throughput screen for aggregation-based inhibition in a large compound library

21 January 2018

1 reference

Compound aggregation in drug discovery: implementing a practical NMR assay for medicinal chemists.

21 January 2018

1 reference

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

21 January 2018

1 reference

A competitive fluorescence assay to measure the reactivity of compounds

21 January 2018

1 reference

Kinetic glutathione chemoassay to quantify thiol reactivity of organic electrophiles--application to alpha,beta-unsaturated ketones, acrylates, and propiolates

21 January 2018

1 reference

Analysis of glutathione adducts of patulin by means of liquid chromatography (HPLC) with biochemical detection (BCD) and electrospray ionization tandem mass spectrometry (ESI-MS/MS).

21 January 2018

1 reference

Evaluation of micro-parallel liquid chromatography as a method for HTS-coupled actives verification

21 January 2018

1 reference

False positives in a reporter gene assay: identification and synthesis of substituted N-pyridin-2-ylbenzamides as competitive inhibitors of firefly luciferase

21 January 2018

1 reference

Evaluation of fluorescent compound interference in 4 fluorescence polarization assays: 2 kinases, 1 protease, and 1 phosphatase

21 January 2018

1 reference

Evaluation of compound interference in immobilized metal ion affinity-based fluorescence polarization detection with a four million member compound collection

21 January 2018

1 reference

Interpreting steep dose-response curves in early inhibitor discovery

21 January 2018

1 reference

Cheminformatic tools for medicinal chemists.

21 January 2018

1 reference

Post-high-throughput screening analysis: an empirical compound prioritization scheme

21 January 2018

1 reference

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

21 January 2018

1 reference

Ask the experts: past, present and future of the rule of five

21 January 2018

1 reference

The role of ligand efficiency metrics in drug discovery.

21 January 2018

1 reference

Lipophilic efficiency: the most important efficiency metric in medicinal chemistry

21 January 2018

1 reference

Ligand Efficiency Indices (LEIs): More than a Simple Efficiency Yardstick

21 January 2018

1 reference

Ligand efficiency indices as guideposts for drug discovery.

21 January 2018

1 reference

The effect of room-temperature storage on the stability of compounds in DMSO.

21 January 2018

1 reference

The effect of freeze/thaw cycles on the stability of compounds in DMSO.

21 January 2018

1 reference

Stability through the ages: the GSK experience.

21 January 2018

1 reference

The influence of peptide impurity profiles on functional tissue-organ bath response: the 11-mer peptide INSL6[151-161] case

21 January 2018

1 reference

Purity-activity relationships of natural products: the case of anti-TB active ursolic acid

21 January 2018

1 reference

Novel AI-2 quorum sensing inhibitors in Vibrio harveyi identified through structure-based virtual screening.

21 January 2018

1 reference

Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits

21 January 2018

1 reference

Discovery of Helicobacter pylori shikimate kinase inhibitors: bioassay and molecular modeling.

21 January 2018

1 reference

Discovery of a novel submicromolar inhibitor of the lymphoid specific tyrosine phosphatase.

21 January 2018

1 reference

Discovery of 4-amino-2-(thio)phenol derivatives as novel protein kinase and angiogenesis inhibitors for the treatment of cancer: synthesis and biological evaluation. Part II.

21 January 2018

1 reference

Characterization of molecular recognition of STAT3 SH2 domain inhibitors through molecular simulation.

21 January 2018

1 reference

Digital chemistry in the Journal of Medicinal Chemistry.

21 January 2018

1 reference

From HTS to Phase I: the Institute for Therapeutics Discovery and Development at the University of Minnesota

21 January 2018

1 reference

Compound Collection Preparation for Virtual Screening

21 January 2018

1 reference

PAINS: Relevance to Tool Compound Discovery and Fragment-Based Screening

21 January 2018

1 reference

Electrophilic properties of patulin. N-acetylcysteine and glutathione adducts

21 January 2018

1 reference

12 December 2020

Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies

1 reference

12 December 2020

Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening

1 reference

12 December 2020

Discovering severe acute respiratory syndrome coronavirus 3CL protease inhibitors: virtual screening, surface plasmon resonance, and fluorescence resonance energy transfer assays

1 reference

12 December 2020

Recommendations for the reduction of compound artifacts in time-resolved fluorescence resonance energy transfer assays

1 reference

12 December 2020

Predicting key example compounds in competitors' patent applications using structural information alone

1 reference

12 December 2020

Best practices in compound management for preserving compound integrity and accurately providing samples for assays

1 reference

12 December 2020

How are fragments optimized? A retrospective analysis of 145 fragment optimizations

1 reference

12 December 2020

Rapid identification of Keap1-Nrf2 small-molecule inhibitors through structure-based virtual screening and hit-based substructure search

1 reference

12 December 2020

Identifiers

DOI

10.4155/FMC.14.60

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25163000%20AND%20SRC:MED&resulttype=core&format=json

release_romfahiobfb25bxyppbyhthyhy

6 June 2020

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/romfahiobfb25bxyppbyhthyhy

24 November 2022

mapped directly with Wikidata item

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25163000%20AND%20SRC:MED&resulttype=core&format=json

6 June 2020

25163000

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25163000%20AND%20SRC:MED&resulttype=core&format=json