(Q42843048)

8 November 2017

Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods (English)

1 reference

8 November 2017

0 references

1 reference

molecular fingerprint

1 reference

inferred from title

object named as

molecular fingerprint

25 May 2024

2

1 reference

8 November 2017

Sereina Riniker

1

0 references

publication date

24 September 2013

1 reference

Journal of Cheminformatics

8 November 2017

1 reference

8 November 2017

5

1 reference

8 November 2017

1

1 reference

8 November 2017

43

1 reference

Creative Commons Attribution 2.0 Generic

8 November 2017

start time

24 September 2013

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

describes a project that uses

scikit-learn

object named as

scikit-learn

1 reference

CZ Software Mentions: A large dataset of software mentions in the biomedical literature

cites work

Open-source platform to benchmark fingerprints for ligand-based virtual screening

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

ChEMBL: a large-scale bioactivity database for drug discovery

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

N-(3-fluoro-4-(4-(2-methoxy or 2,3-dichlorophenyl)piperazine-1-yl)butyl)arylcarboxamides as selective dopamine D3 receptor ligands: critical role of the carboxamide linker for D3 receptor selectivity

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

Interpreting linear support vector machine models with heat map molecule coloring

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

Extended-connectivity fingerprints

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

Beyond profiling: using ADMET models to guide decisions

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

Hybrid approach for the design of highly affine and selective dopamine D(3) receptor ligands using privileged scaffolds of biogenic amine GPCR ligands

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

A Computer Program for Classifying Plants

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

Design, synthesis, and binding affinities of potential positron emission tomography (PET) ligands for visualization of brain dopamine D3 receptors

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

Extraction and visualization of potential pharmacophore points using support vector machines: application to ligand-based virtual screening for COX-2 inhibitors

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

The binding site of aminergic G protein-coupled receptors: the transmembrane segments and second extracellular loop

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

Genetic optimization of combinatorial libraries

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

Stigmata: an algorithm to determine structural commonalities in diverse datasets

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3852750

VisualiSAR: a web-based application for clustering, structure browsing, and structure-activity relationship study

27 May 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24063533

12 December 2020

inferred from PubMed ID database lookup

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

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24063533

12 December 2020

inferred from PubMed ID database lookup

Visual Interpretation of Kernel-Based Prediction Models.

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24063533

12 December 2020

inferred from PubMed ID database lookup

Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma.

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-3-S1-O3

Measures of the Amount of Ecologic Association Between Species

2 January 2022

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-43

Matplotlib: A 2D Graphics Environment

2 January 2022

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-43

2 January 2022

Identifiers

DOI

10.1186/1758-2946-5-43

1 reference

journals/jcheminf/RinikerL13a

8 November 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/1758-2946-5-43

PMC publication ID

3852750

1 reference

PMC publication ID

3852750

8 November 2017

PubMed publication ID

24063533

1 reference

PMC publication ID

3852750