(Q34421173)

2 August 2017

title

Plane of best fit: a novel method to characterize the three-dimensionality of molecules (English)

1 reference

2 August 2017

Nicholas C Firth

1

1 reference

2 August 2017

Nathan Brown

series ordinal

2

1 reference

2 August 2017

Julian Blagg

series ordinal

3

1 reference

2 August 2017

publication date

26 September 2012

1 reference

Journal of Chemical Information and Modeling

2 August 2017

published in

1 reference

2 August 2017

volume

52

1 reference

2 August 2017

issue

10

1 reference

2 August 2017

page(s)

2516-2525

1 reference

Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery

2 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Scaffold diversity of exemplified medicinal chemistry space

6 July 2018

1 reference

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Quantifying structure and performance diversity for sets of small molecules comprising small-molecule screening collections

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Improvement in aqueous solubility in small molecule drug discovery programs by disruption of molecular planarity and symmetry

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Selective inhibition of BET bromodomains

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Molecular shape technologies in drug discovery: methods and applications

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Rationalizing the chemical space of protein-protein interaction inhibitors

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

An inhibitor of Bcl-2 family proteins induces regression of solid tumours

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

In vivo activation of the p53 pathway by small-molecule antagonists of MDM2

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

A ‘Rule of Three’ for fragment-based lead discovery?

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Molecular shape diversity of combinatorial libraries: a prerequisite for broad bioactivity.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

The Cambridge Structural Database: a quarter of a million crystal structures and rising

6 July 2018

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

6 July 2018

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

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

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

RECAP--retrosynthetic combinatorial analysis procedure: a powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure.

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Beyond size, ionization state, and lipophilicity: influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compounds

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Escape from flatland: increasing saturation as an approach to improving clinical success

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Conformational analysis of drug-like molecules bound to proteins: an extensive study of ligand reorganization upon binding

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3477823

Conformations and 3D pharmacophore searching

27 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23009689

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Molecular mechanics and molecular shape. III. Surface area and cross-sectional areas of organic molecules.

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23009689

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CI300293F

1 reference

2 August 2017

DBLP publication ID

journals/jcisd/FirthBB12

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

2 August 2017

1 reference