(Q36013183)

11 August 2017

Fast 3D shape screening of large chemical databases through alignment-recycling (English)

1 reference

11 August 2017

0 references

2

1 reference

11 August 2017

4

Stephen H Bryant

0 references

author name string

Fabien Fontaine

series ordinal

1

1 reference

11 August 2017

Yulia Borodina

series ordinal

3

1 reference

11 August 2017

6 June 2007

1 reference

Chemistry Central Journal

11 August 2017

1 reference

11 August 2017

1

1 reference

11 August 2017

12

1 reference

Creative Commons Attribution 2.0 Generic

11 August 2017

start time

6 June 2007

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

exact match

https://scigraph.springernature.com/pub.10.1186/1752-153x-1-12

0 references

cites work

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

Database resources of the National Center for Biotechnology Information

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

Small molecule shape-fingerprints

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

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

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

Why do we need so many chemical similarity search methods?

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

DISE: directed sphere exclusion

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

Is there a difference between leads and drugs? A historical perspective

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

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

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

Molecular hashkeys: a novel method for molecular characterization and its application for predicting important pharmaceutical properties of molecules

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

Scaffold hopping using clique detection applied to reduced graphs.

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

Molecular-modeling based design, synthesis, and activity of substituted piperidines as gamma-secretase inhibitors.

11 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

Feature trees: a new molecular similarity measure based on tree matching.

11 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994057

Assessing the performance of OMEGA with respect to retrieving bioactive conformations

11 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17880744

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Measuring CAMD technique performance: a virtual screening case study in the design of validation experiments

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17880744

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Approaches to Measure Chemical Similarity– a Review

1 reference

COCI

https://opencitations.net/index/api/v1/citations/10.1002/QSAR.200330831

18 January 2024

Identifiers

DOI

10.1186/1752-153X-1-12

1 reference

Dimensions Publication ID

11 August 2017

0 references

1 reference

11 August 2017

PubMed publication ID

17880744

1 reference