(Q27902270)

Creative Commons Attribution 4.0 International

volume

8

0 references

page(s)

36

0 references

issue

1

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copyright license

start time

5 July 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

exact match

https://scigraph.springernature.com/pub.10.1186/s13321-016-0148-0

0 references

cites work

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20 March 2017

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20 March 2017

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On Outliers and Activity Cliffs - Why QSAR Often Disappoints

20 March 2017

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7 April 2017

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An overview of molecular fingerprint similarity search in virtual screening

7 April 2017

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Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT₂C agonists

29 September 2017

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Multi-receptor drug design: Haloperidol as a scaffold for the design and synthesis of atypical antipsychotic agents

29 September 2017

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29 September 2017

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Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.

29 September 2017

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29 September 2017

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Critical comparison of virtual screening methods against the MUV data set.

29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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Analysis of data fusion methods in virtual screening: similarity and group fusion

29 September 2017

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QSAR--how good is it in practice? Comparison of descriptor sets on an unbiased cross section of corporate data sets

29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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2 June 2018

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Evaluation of basic, heterocyclic ring systems as templates for use as potassium competitive acid blockers (pCABs).

2 June 2018

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2 June 2018

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2 June 2018

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Antiulcer agents. 5. Inhibition of gastric H+/K+-ATPase by substituted imidazo[1,2-a]pyridines and related analogs and its implication in modeling the high affinity potassium ion binding site of the gastric proton pump enzyme

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Neighborhood behavior of in silico structural spaces with respect to in vitro activity spaces-a novel understanding of the molecular similarity principle in the context of multiple receptor binding profiles.

21 January 2018

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Analysis of neighborhood behavior in lead optimization and array design

21 January 2018

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21 January 2018

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21 January 2018

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

21 January 2018

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Alternative global goodness metrics and sensitivity analysis: heuristics to check the robustness of conclusions from studies comparing virtual screening methods.

21 January 2018

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5-HT reuptake inhibitors with 5-HT(1B/1D) antagonistic activity: a new approach toward efficient antidepressants

21 January 2018

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Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

21 January 2018

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12 December 2020

Preparation of tetrahydroimidazo[2,1-a]isoquinolines and their use as inhibitors of gastric acid secretion

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12 December 2020

5-Substituted 1H-pyrrolo[3,2-b]pyridines as inhibitors of gastric acid secretion

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12 December 2020

Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments

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12 December 2020

Optimization of 5-hydroxytryptamines as dual function inhibitors targeting phospholipase A2 and leukotriene A4 hydrolase

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12 December 2020

10.1186/S13321-016-0148-0

Identifiers

DOI

1 reference

journals/jcheminf/OBoyleS16

245234

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1034555561

0 references

245234

1 reference

1 reference

1 reference