(Q33730312)

29 July 2017

title

Application of QSAR and shape pharmacophore modeling approaches for targeted chemical library design (English)

1 reference

29 July 2017

Application of QSAR and Shape Pharmacophore Modeling Approaches for Targeted Chemical Library Design (English)

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-931-4_6

quantitative structure-activity relationship

11 August 2024

main subject

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A20981521

11 August 2024

molecular model

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A20981521

11 August 2024

3

Alexander Tropsha

1 reference

29 July 2017

Weifan Zheng

2

1 reference

29 July 2017

Jerry O. Ebalunode

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A20981521

11 August 2024

language of work or name

English

0 references

publication date

1 January 2011

1 reference

full work available at URL

29 July 2017

number of pages

23

1 reference

based on heuristic

inferred from page(s)

https://link.springer.com/content/pdf/10.1007/978-1-60761-931-4_6

1 reference

https://api.crossref.org/works/10.1007/978-1-60761-931-4_6

Methods in Molecular Biology

11 August 2024

published in

1 reference

29 July 2017

volume

685

1 reference

29 July 2017

page(s)

111-133

1 reference

Rational combinatorial library design. 1. Focus-2D: a new approach to the design of targeted combinatorial chemical libraries

29 July 2017

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Mechanistic applicability domains for non-animal based prediction of toxicological endpoints. QSAR analysis of the schiff base applicability domain for skin sensitization.

11 August 2024

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Novel chirality descriptors derived from molecular topology

11 August 2024

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QSAR modeling of alpha-campholenic derivatives with sandalwood odor

11 August 2024

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Combinatorial QSAR of ambergris fragrance compounds.

11 August 2024

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Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates

11 August 2024

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11 August 2024

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11 August 2024

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A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models

11 August 2024

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Rational selection of training and test sets for the development of validated QSAR models

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Quantitative structure-activity relationship analysis of pyridinone HIV-1 reverse transcriptase inhibitors using the k nearest neighbor method and QSAR-based database mining

11 August 2024

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Application of validated QSAR models of D1 dopaminergic antagonists for database mining

11 August 2024

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Antitumor agents 252. Application of validated QSAR models to database mining: discovery of novel tylophorine derivatives as potential anticancer agents

11 August 2024

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Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening

11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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11 August 2024

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Computation of 3D queries for ROCS based virtual screens.

11 August 2024

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How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

11 August 2024

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Enrichment of ligands for the serotonin receptor using the Shape Signatures approach

11 August 2024

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11 August 2024

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Improving virtual screening performance against conformational variations of receptors by shape matching with ligand binding pocket

11 August 2024

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Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening

11 August 2024

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A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

11 August 2024

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Prospective identification of biologically active structures by topomer shape similarity searching

11 August 2024

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"Lead hopping". Validation of topomer similarity as a superior predictor of similar biological activities

11 August 2024

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The use of three-dimensional shape and electrostatic similarity searching in the identification of a melanin-concentrating hormone receptor 1 antagonist

11 August 2024

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Comparison of ligand-based and receptor-based virtual screening of HIV entry inhibitors for the CXCR4 and CCR5 receptors using 3D ligand shape matching and ligand-receptor docking

11 August 2024

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Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases

11 August 2024

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Structure-based shape pharmacophore modeling for the discovery of novel anesthetic compounds

11 August 2024

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11 August 2024

Identifiers

1 reference

release_kk4rknx54nawra3vrm7vqyxc24

29 July 2017

Fatcat ID

1 reference

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https://api.fatcat.wiki/v0/release/kk4rknx54nawra3vrm7vqyxc24

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference