(Q34153687)

31 July 2017

A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space (English)

1 reference

Mohamed Diwan M AbdulHameed

31 July 2017

object named as

Mohamed Diwan M Abdulhameed

4

0 references

Anders Wallqvist

object named as

Anders Wallqvist

5

0 references

author name string

Narender Singh

1

1 reference

31 July 2017

Hongmao Sun

2

1 reference

31 July 2017

Sidhartha Chaudhury

3

1 reference

31 July 2017

Gregory Tawa

6

1 reference

31 July 2017

8 February 2012

1 reference

Journal of Cheminformatics

31 July 2017

1 reference

31 July 2017

4

1 reference

31 July 2017

4

1 reference

31 July 2017

1

1 reference

Creative Commons Attribution 2.0 Generic

31 July 2017

start time

8 February 2012

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

exact match

https://scigraph.springernature.com/pub.10.1186/1758-2946-4-4

0 references

cites work

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Mining the ChEMBL database: an efficient chemoinformatics workflow for assembling an ion channel-focused screening library

5 July 2018

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Automated selection of compounds with physicochemical properties to maximize bioavailability and druglikeness

5 July 2018

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The design, annotation, and application of a kinase-targeted library

5 July 2018

1 reference

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Extended-connectivity fingerprints

5 July 2018

1 reference

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Physiochemical property space distribution among human metabolites, drugs and toxins

5 July 2018

1 reference

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Scaffold-based design of kinase inhibitors for cancer therapy

5 July 2018

1 reference

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Design, selection, and evaluation of a general kinase-focused library

5 July 2018

1 reference

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PubChem: a public information system for analyzing bioactivities of small molecules

5 July 2018

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Targeting cancer with small molecule kinase inhibitors

5 July 2018

1 reference

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Kinase-targeted library design through the application of the PharmPrint methodology

5 July 2018

1 reference

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Kinase-likeness and kinase-privileged fragments: toward virtual polypharmacology

5 July 2018

1 reference

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Lessons learnt from assembling screening libraries for drug discovery for neglected diseases

5 July 2018

1 reference

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A simple method to improve the odds in finding 'lead-like' compounds from chemical libraries

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

The discovery of carboline analogs as potent MAPKAP-K2 inhibitors

5 July 2018

1 reference

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Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885

5 July 2018

1 reference

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A kinase-focused compound collection: compilation and screening strategy

5 July 2018

1 reference

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Knowledge-based design of target-focused libraries using protein-ligand interaction constraints

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Drug discovery in the kinase inhibitory field using the Nested Chemical Library technology.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Charting biologically relevant chemical space: a structural classification of natural products (SCONP)

5 July 2018

1 reference

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Focused combinatorial library design based on structural diversity, druglikeness and binding affinity score

5 July 2018

1 reference

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

5 July 2018

1 reference

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Navigating chemical space for biology and medicine

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

NIH Molecular Libraries Initiative

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Molecular properties that influence oral drug-like behavior.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

The different strategies for designing GPCR and kinase targeted libraries

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Pursuing the leadlikeness concept in pharmaceutical research.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Approaches to target class combinatorial library design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Data shaving: a focused screening approach

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Imidazo[1,2-a]pyridines: a potent and selective class of cyclin-dependent kinase inhibitors identified through structure-based hybridisation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Profiling drug-like properties in discovery research

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Selection criteria for drug-like compounds

5 July 2018

1 reference

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ADMET in silico modelling: towards prediction paradise?

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Current trends in lead discovery: are we looking for the appropriate properties?

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

The protein kinase complement of the human genome

5 July 2018

1 reference

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Guiding molecules towards drug-likeness.

5 July 2018

1 reference

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Protein kinases--the major drug targets of the twenty-first century?

5 July 2018

1 reference

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Molecular properties that influence the oral bioavailability of drug candidates

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Prediction of 'drug-likeness'.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Simple selection criteria for drug-like chemical matter

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Chemography: the art of navigating in chemical space.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Drug-like properties and the causes of poor solubility and poor permeability

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Toward designing drug-like libraries: a novel computational approach for prediction of drug feasibility of compounds

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Recognizing molecules with drug-like properties

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

The art and practice of structure-based drug design: A molecular modeling perspective

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Protein kinases--structure and function.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299594

Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups

5 July 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-4-4

Property-based design of GPCR-targeted library

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-4-4

Predicting polypharmacology by binding site similarity: from kinases to the protein universe

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-4-4

SU11248 is a novel FLT3 tyrosine kinase inhibitor with potent activity in vitro and in vivo

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-4-4

A Quantitative Approach to the Estimation of Chemical Space from a Given Geometry by the Combination of Atomic Species

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2F1758-2946-4-4

SLIPPER-2001 -- software for predicting molecular properties on the basis of physicochemical descriptors and structural similarity

21 January 2018

1 reference

12 December 2020

Chemical space and biology

1 reference

12 December 2020

Drugs, leads, and drug-likeness: an analysis of some recently launched drugs

1 reference

12 December 2020

Are there differences between launched drugs, clinical candidates, and commercially available compounds?

1 reference

12 December 2020

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

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-4-4

2 January 2022

Identifiers

DOI

10.1186/1758-2946-4-4

1 reference

journals/jcheminf/SinghSCAWT12

31 July 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

31 July 2017

1 reference