(Q27902327)

Creative Commons Attribution 4.0 International

volume

7

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issue

1

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page(s)

61

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copyright license

start time

1 December 2015

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

DrugBank 3.0: a comprehensive resource for 'omics' research on drugs

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The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

20 March 2017

1 reference

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

20 March 2017

1 reference

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

20 March 2017

1 reference

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Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

20 March 2017

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Extended-connectivity fingerprints

20 March 2017

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

7 April 2017

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Optimization of molecular representativeness

7 April 2017

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How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space

29 September 2017

1 reference

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Estimating error rates in bioactivity databases

29 September 2017

1 reference

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Synthesis and mechanism of hypoglycemic activity of benzothiazole derivatives.

29 September 2017

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29 September 2017

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Softening the Rule of Five--where to draw the line?

29 September 2017

1 reference

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Clinical genetics of amyotrophic lateral sclerosis: what do we really know?

29 September 2017

1 reference

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Visual characterization and diversity quantification of chemical libraries: 1. creation of delimited reference chemical subspaces

29 September 2017

1 reference

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Pharmer: efficient and exact pharmacophore search

29 September 2017

1 reference

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Leukoencephalopathy with vanishing white matter: a review

29 September 2017

1 reference

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Novel approach for efficient pharmacophore-based virtual screening: method and applications

29 September 2017

1 reference

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'Metabolite-likeness' as a criterion in the design and selection of pharmaceutical drug libraries

29 September 2017

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29 September 2017

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Lessons learnt from assembling screening libraries for drug discovery for neglected diseases

29 September 2017

1 reference

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An empirical process for the design of high-throughput screening deck filters.

29 September 2017

1 reference

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ADME-Tox in drug discovery: integration of experimental and computational technologies

29 September 2017

1 reference

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Current trends in lead discovery: are we looking for the appropriate properties?

29 September 2017

1 reference

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Molecular properties that influence the oral bioavailability of drug candidates

29 September 2017

1 reference

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Correlation and prediction of a large blood-brain distribution data set--an LFER study

29 September 2017

1 reference

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Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4676138

Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

29 September 2017

1 reference

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k-Nearest neighbors optimization-based outlier removal

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4676138

QSAR modeling of the blood-brain barrier permeability for diverse organic compounds

2 June 2018

1 reference

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Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4676138

WOMBAT: World of Molecular Bioactivity

2 June 2018

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Über den jetzigen Stand der Chemotherapie

21 January 2018

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Glossary of terms used in medicinal chemistry (IUPAC Recommendations 1998)

21 January 2018

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

21 January 2018

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QSAR-based solubility model for drug-like compounds

21 January 2018

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Combinatorial QSAR modeling of human intestinal absorption

21 January 2018

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Rules for identifying potentially reactive or promiscuous compounds

21 January 2018

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21 January 2018

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Correlation of blood-brain penetration using structural descriptors.

21 January 2018

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Using extended-connectivity fingerprints with Laplacian-modified Bayesian analysis in high-throughput screening follow-up

21 January 2018

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Evaluation of blockbuster drugs under the rule-of-five

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4676138

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

27 November 2018

1 reference

12 December 2020

Computational models to predict blood-brain barrier permeation and CNS activity

1 reference

12 December 2020

ADMET--turning chemicals into drugs

1 reference

12 December 2020

1 reference

12 December 2020

Therapy for cystic fibrosis--the end of the beginning?

1 reference

12 December 2020

The WEKA data mining software: an update

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-015-0108-0

Diversity selection algorithms

2 January 2022

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-015-0108-0

10.1186/S13321-015-0108-0

2 January 2022

Identifiers

DOI

0 references

DBLP publication ID

journals/jcheminf/GiladNS15

1 reference

DBLP Dataset 2021-01-02