(Q42030986)

15 October 2017

2D depiction of fragment hierarchies (English)

1 reference

15 October 2017

Alex M Clark

0 references

1 January 2010

1 reference

Journal of Chemical Information and Modeling

15 October 2017

1 reference

15 October 2017

1 reference

15 October 2017

1 reference

15 October 2017

37-46

1 reference

Enhanced SAR maps: expanding the data rendering capabilities of a popular medicinal chemistry tool.

15 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

Protonate3D: assignment of ionization states and hydrogen coordinates to macromolecular structures

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

Formal concept analysis for the identification of molecular fragment combinations specific for active and highly potent compounds

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

2D depiction of protein-ligand complexes.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

Scaffold composition and biological relevance of screening libraries.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

HierS: hierarchical scaffold clustering using topological chemical graphs

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

Dicyclic and tricyclic diaminopyrimidine derivatives as potent inhibitors of Cryptosporidium parvum dihydrofolate reductase: structure-activity and structure-selectivity correlations

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

Synthesis and biological activities of tricyclic conformationally restricted tetrahydropyrido annulated furo[2,3-d]pyrimidines as inhibitors of dihydrofolate reductases

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

The properties of known drugs. 1. Molecular frameworks

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

Structure-activity and structure-selectivity studies on diaminoquinazolines and other inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

Pneumocystis carinii dihydrofolate reductase used to screen potential antipneumocystis drugs

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

Detection and assignment of common scaffolds in project databases of lead molecules

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

17 August 2018

2D structure depiction.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

A comparison of methods for modeling quantitative structure-activity relationships

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2810838

SAR maps: a new SAR visualization technique for medicinal chemists

17 August 2018

1 reference

12 December 2020

Assessing how well a modeling protocol captures a structure-activity landscape

1 reference

12 December 2020

Core trees and consensus fragment sequences for molecular representation and similarity analysis

1 reference

12 December 2020

Structure-activity relationship anatomy by network-like similarity graphs and local structure-activity relationship indices

1 reference

12 December 2020

Radial clustergrams: visualizing the aggregate properties of hierarchical clusters

1 reference

12 December 2020

Reverse fingerprinting, similarity searching by group fusion and fingerprint bit importance

1 reference

12 December 2020

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

11 September 2021

Identifiers

DOI

10.1021/CI900350H

1 reference

15 October 2017

journals/jcisd/Clark10

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PMC publication ID

2810838

15 October 2017

PubMed publication ID

20038186

1 reference

PMC publication ID

2810838