(Q27902292)

Creative Commons Attribution 4.0 International

volume

7

0 references

issue

1

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page(s)

26

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copyright license

start time

22 June 2015

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

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describes a project that uses

Jupyter notebook file

1 reference

1 reference

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4475766/

scikit-learn

object named as

sklearn

Sklearn

1 reference

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

cites work

Open Babel: An open chemical toolbox

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

Cinfony – combining Open Source cheminformatics toolkits behind a common interface

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

Scoring functions for protein-ligand docking

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

PDB-wide collection of binding data: current status of the PDBbind database

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

Lead- and drug-like compounds: the rule-of-five revolution

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

Early phase drug discovery: cheminformatics and computational techniques in identifying lead series

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

Chemoinformatics: a view of the field and current trends in method development

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

NNScore 2.0: a neural-network receptor-ligand scoring function

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

DiSCuS: an open platform for (not only) virtual screening results management

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4475766

Comparative assessment of scoring functions on a diverse test set.

2 June 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0078-2

SFCscore(RF): a random forest-based scoring function for improved affinity prediction of protein-ligand complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0078-2

Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0078-2

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0078-2

Support vector machine for SAR/QSAR of phenethyl-amines

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0078-2

The NumPy Array: A Structure for Efficient Numerical Computation

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0078-2

VSDMIP 1.5: an automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0078-2

10.1186/S13321-015-0078-2

21 January 2018

Identifiers

DOI

1 reference

journals/jcheminf/WojcikowskiZS15

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1024951948

0 references

1 reference

1 reference

PubMed publication ID

26101548

1 reference