Automated design of ligands to polypharmacological profiles. (Q30539786)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23235874%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

title

Automated design of ligands to polypharmacological profiles (English)

1 reference

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20 February 2020

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1

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20 February 2020

Gian Filippo Ruda

2

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20 February 2020

Annik Prat

13

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20 February 2020

Nabil Seidah

14

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20 February 2020

Daniel B. Constam

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20 February 2020

G Richard J Bickerton

16

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20 February 2020

Ian H. Gilbert

19

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20 February 2020

Andrew L Hopkins

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20 February 2020

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Laste Stojanovski

1 reference

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20 February 2020

author name string

Vincent Setola

3

1 reference

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20 February 2020

Keren Abecassis

4

1 reference

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20 February 2020

Ramona M Rodriguiz

5

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20 February 2020

Xi-Ping Huang

6

1 reference

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20 February 2020

Suzanne Norval

7

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20 February 2020

Maria F Sassano

8

1 reference

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20 February 2020

Antony I Shin

9

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20 February 2020

Lauren A Webster

10

1 reference

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20 February 2020

Frederick R C Simeons

11

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20 February 2020

Kevin D Read

17

1 reference

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20 February 2020

William C Wetsel

18

1 reference

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20 February 2020

Bryan L Roth

20

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20 February 2020

language of work or name

English

0 references

publication date

1 December 2012

1 reference

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20 February 2020

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20 February 2020

volume

492

1 reference

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20 February 2020

issue

7428

1 reference

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20 February 2020

page(s)

215-220

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Large-scale prediction and testing of drug activity on side-effect targets

20 February 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

ChEMBL: a large-scale bioactivity database for drug discovery

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Recent advances in the search for D3- and D4-selective drugs: probes, models and candidates

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Identification of human Ether-à-go-go related gene modulators by three screening platforms in an academic drug-discovery setting.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Aryl phosphoramidates of 5-phospho erythronohydroxamic acid, a new class of potent trypanocidal compounds

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Extended-connectivity fingerprints

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Cholinesterase inhibitors as adjunctive therapy in patients with schizophrenia and schizoaffective disorder: a review and meta-analysis of the literature

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Targeting the cancer kinome through polypharmacology

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Mice lacking synapsin III show abnormalities in explicit memory and conditioned fear

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Predicting new molecular targets for known drugs

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

A statistical framework to evaluate virtual screening

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Voyages to the (un)known: adaptive design of bioactive compounds

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Network pharmacology: the next paradigm in drug discovery

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Physiochemical drug properties associated with in vivo toxicological outcomes

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Drug target identification using side-effect similarity

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

How many modes of action should an antibiotic have?

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Fragment-based de novo ligand design by multiobjective evolutionary optimization

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

A novel hybrid ultrafast shape descriptor method for use in virtual screening.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Molecular optimization using computational multi-objective methods

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Relating protein pharmacology by ligand chemistry

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Drugs and valvular heart disease

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Drug Guru: a computer software program for drug design using medicinal chemistry rules.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Selective optimization of side activities: the SOSA approach

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Enrichment of high-throughput screening data with increasing levels of noise using support vector machines, recursive partitioning, and laplacian-modified naive bayesian classifiers

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Designed multiple ligands. An emerging drug discovery paradigm

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Novelty seeking and stereotypic activation of behavior in mice with disruption of the Dat1 gene

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Designing focused libraries using MoSELECT.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

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

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

The selective dopamine D4 receptor antagonist, PNU-101387G, prevents stress-induced cognitive deficits in monkeys

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

The properties of known drugs. 1. Molecular frameworks

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3653568

Global mapping of pharmacological space

14 July 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

In Silico Receptorome Screening of Antipsychotic Drugs

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

The de novo design of median molecules within a property range of interest

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

Tagged fragment method for evolutionary structure-based de novo lead generation and optimization.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

Benzodioxoles: novel cannabinoid-1 receptor inverse agonists for the treatment of obesity

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

SPROUT: a program for structure generation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

A validation study on the practical use of automated de novo design.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

A graph-based genetic algorithm and its application to the multiobjective evolution of median molecules.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

De novo drug design using multiobjective evolutionary graphs.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

Synthesis, binding affinity and SAR of new benzolactam derivatives as dopamine D3 receptor ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

Discovery of the first nonpeptidic, small-molecule, highly selective somatostatin receptor subtype 5 antagonists: a chemogenomics approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

Using extended-connectivity fingerprints with Laplacian-modified Bayesian analysis in high-throughput screening follow-up

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

Gaussian processes: a method for automatic QSAR modeling of ADME properties.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility.

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNATURE11691

SYNOPSIS: SYNthesize and OPtimize System in Silico

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23235874

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A new class of histamine H3 receptor antagonists derived from ligand based design

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23235874

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1038/NATURE11691

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23235874%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23235874%20AND%20SRC:MED&resulttype=core&format=json

20 February 2020

1 reference