(Q41831465)

12 October 2017

Ligand biological activity predictions using fingerprint-based artificial neural networks (FANN-QSAR). (English)

1 reference

artificial neural network

12 October 2017

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author name string

Kyaw Z Myint

series ordinal

1

1 reference

12 October 2017

Xiang-Qun Xie

series ordinal

2

1 reference

12 October 2017

language of work or name

English

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publication date

1 January 2015

1 reference

Methods in Molecular Biology

12 October 2017

1 reference

12 October 2017

1260

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12 October 2017

149-164

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Novel triaryl sulfonamide derivatives as selective cannabinoid receptor 2 inverse agonists and osteoclast inhibitors: discovery, optimization, and biological evaluation

12 October 2017

1 reference

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TargetHunter: an in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database

6 June 2018

1 reference

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LiCABEDS II. Modeling of ligand selectivity for G-protein-coupled cannabinoid receptors

6 June 2018

1 reference

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A targeted library screen reveals a new inhibitor scaffold for protein kinase D

6 June 2018

1 reference

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Molecular fingerprint-based artificial neural networks QSAR for ligand biological activity predictions

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Open Babel: An open chemical toolbox

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Collation and data-mining of literature bioactivity data for drug discovery

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Mutagenesis and computer modeling studies of a GPCR conserved residue W5.43(194) in ligand recognition and signal transduction for CB2 receptor

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Recent advances in fragment-based QSAR and multi-dimensional QSAR methods

6 June 2018

1 reference

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Extended-connectivity fingerprints

6 June 2018

1 reference

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Fragment-based QSAR: perspectives in drug design

6 June 2018

1 reference

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Beta-caryophyllene is a dietary cannabinoid

6 June 2018

1 reference

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Data mining a small molecule drug screening representative subset from NIH PubChem

6 June 2018

1 reference

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GPCR structure-based virtual screening approach for CB2 antagonist search

6 June 2018

1 reference

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ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds.

6 June 2018

1 reference

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Alkylamides from Echinacea are a new class of cannabinomimetics. Cannabinoid type 2 receptor-dependent and -independent immunomodulatory effects

6 June 2018

1 reference

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"In-house likeness": comparison of large compound collections using artificial neural networks

6 June 2018

1 reference

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Quantitative structure-activity relationship methods: perspectives on drug discovery and toxicology

6 June 2018

1 reference

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Reoptimization of MDL keys for use in drug discovery

6 June 2018

1 reference

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4-[5-Methyl-3-phenylisoxazol-4-yl]- benzenesulfonamide, valdecoxib: a potent and selective inhibitor of COX-2

6 June 2018

1 reference

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Structure-based design of selective inhibitors of dihydrofolate reductase: synthesis and antiparasitic activity of 2, 4-diaminopteridine analogues with a bridged diarylamine side chain

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Pharmacophores incorporating numerous excluded volumes defined by X-ray crystallographic structure in three-dimensional database searching: application to the thyroid hormone receptor

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Synthesis and biological activities of tricyclic conformationally restricted tetrahydropyrido annulated furo[2,3-d]pyrimidines as inhibitors of dihydrofolate reductases

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib).

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Synthesis and pharmacology of a very potent cannabinoid lacking a phenolic hydroxyl with high affinity for the CB2 receptor.

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

2,4-Diamino-5-chloroquinazoline analogues of trimetrexate and piritrexim: synthesis and antifolate activity

6 June 2018

1 reference

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Novel piperidine derivatives. Synthesis and anti-acetylcholinesterase activity of 1-benzyl-4-[2-(N-benzoylamino)ethyl]piperidine derivatives.

6 June 2018

1 reference

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Synthesis and structure-activity relationships of acetylcholinesterase inhibitors: 1-benzyl-4-(2-phthalimidoethyl)piperidine and related derivatives

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

6 June 2018

1 reference

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New QSAR prediction models derived from GPCR CB2-antagonistic triaryl bis-sulfone analogues by a combined molecular morphological and pharmacophoric approach.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Artificial neural network-based drug design for diabetes mellitus using flavonoids.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Probabilistic neural network model for the in silico evaluation of anti-HIV activity and mechanism of action.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

3D-QSAR studies of arylpyrazole antagonists of cannabinoid receptor subtypes CB1 and CB2. A combined NMR and CoMFA approach

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

A comparison of methods for modeling quantitative structure-activity relationships

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Ligand-based structural hypotheses for virtual screening

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

On the use of neural network ensembles in QSAR and QSPR.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Prediction of tumoricidal activity and accumulation of photosensitizers in photodynamic therapy using multiple linear regression and artificial neural networks.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

A neural network based virtual screening of cytochrome P450 3A4 inhibitors.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Three-dimensional quantitative structure-activity relationships of cyclo-oxygenase-2 (COX-2) inhibitors: a comparative molecular field analysis.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Design, synthesis, computational prediction, and biological evaluation of ester soft drugs as inhibitors of dihydrofolate reductase from Pneumocystis carinii

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4510302

Selective cyclooxygenase-2 inhibitors: heteroaryl modified 1,2-diarylimidazoles are potent, orally active antiinflammatory agents

18 August 2018

1 reference

12 December 2020

Linear and Nonlinear Support Vector Machine for the Classification of Human 5-HT1A Ligand Functionality

1 reference

12 December 2020

1,2-Diarylcyclopentenes as selective cyclooxygenase-2 inhibitors and orally active anti-inflammatory agents

1 reference

12 December 2020

Selective cyclooxygenase inhibitors: novel 1,2-diarylcyclopentenes are potent and orally active COX-2 inhibitors

1 reference

12 December 2020

Diarylspiro[2.4]heptenes as orally active, highly selective cyclooxygenase-2 inhibitors: synthesis and structure-activity relationships

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12 December 2020

Novel terphenyls as selective cyclooxygenase-2 inhibitors and orally active anti-inflammatory agents

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12 December 2020

EVA: a new theoretically based molecular descriptor for use in QSAR/QSPR analysis

1 reference

12 December 2020

1,2-Diarylpyrroles as potent and selective inhibitors of cyclooxygenase-2

1 reference

12 December 2020

1,2-Diarylimidazoles as potent, cyclooxygenase-2 selective, and orally active antiinflammatory agents

1 reference

12 December 2020

The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/C160017A018

10.1007/978-1-4939-2239-0_9

7 November 2021

Identifiers

DOI

1 reference

12 October 2017

1 reference

12 October 2017

PubMed publication ID

25502380

1 reference