(Q51359512)

4 April 2018

title

R-group template CoMFA combines benefits of "ad hoc" and topomer alignments using 3D-QSAR for lead optimization. (English)

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4 April 2018

author name string

Richard D Cramer

series ordinal

1

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4 April 2018

publication date

4 June 2012

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4 April 2018

Journal of Computer - Aided Molecular Design

published in

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4 April 2018

volume

26

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4 April 2018

page(s)

805-819

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4 April 2018

issue

7

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4 April 2018

https://scigraph.springernature.com/pub.10.1007/s10822-012-9583-9

exact match

0 references

cites work

Virtual screening for R-groups, including predicted pIC50 contributions, within large structural databases, using Topomer CoMFA.

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9583-9

The errors of our ways: taking account of error in computer-aided drug design to build confidence intervals for our next 25 years

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9583-9

Bioisosterism as a molecular diversity descriptor: steric fields of single "topomeric" conformers.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9583-9

Topomer CoMFA: a design methodology for rapid lead optimization

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9583-9

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9583-9

Structure-activity relationships of antifilarial antimycin analogues: a multivariate pattern recognition study.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9583-9

Multiobjective Optimization in Quantitative Structure−Activity Relationships: Deriving Accurate and Interpretable QSARs

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9583-9

Evolutionary optimization in quantitative structure-activity relationship: an application of genetic neural networks

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9583-9

Quantitative Series Enrichment Analysis (QSEA): a novel procedure for 3D-QSAR analysis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9583-9

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9583-9

21 January 2018

1 reference

12 December 2020

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

1 reference

12 December 2020

Ligand-based structural hypotheses for virtual screening

1 reference

12 December 2020

Topomers: a validated protocol for their self-consistent generation

1 reference

12 December 2020

How to improve R&D productivity: the pharmaceutical industry's grand challenge

1 reference

12 December 2020

10.1007/S10822-012-9583-9

Identifiers

DOI

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4 April 2018

DBLP publication ID

journals/jcamd/Cramer12a

1 reference

DBLP Dataset 2021-01-02

28 January 2021

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4 April 2018