(Q41810836)

12 October 2017

Lossless compression of chemical fingerprints using integer entropy codes improves storage and retrieval (English)

1 reference

12 October 2017

1 reference

Pierre Baldi

1

1 reference

12 October 2017

Ryan W Benz

series ordinal

2

1 reference

12 October 2017

Daniel S Hirschberg

series ordinal

3

1 reference

12 October 2017

S Joshua Swamidass

series ordinal

4

1 reference

12 October 2017

30 October 2007

1 reference

Journal of Chemical Information and Modeling

12 October 2017

1 reference

12 October 2017

47

1 reference

12 October 2017

2098-2109

1 reference

12 October 2017

6

1 reference

Mathematical correction for fingerprint similarity measures to improve chemical retrieval

12 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536658

One- to four-dimensional kernels for virtual screening and the prediction of physical, chemical, and biological properties.

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536658

Cheminformatics analysis and learning in a data pipelining environment

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536658

ChemDB: a public database of small molecules and related chemoinformatics resources

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536658

ZINC--a free database of commercially available compounds for virtual screening

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536658

Detailed analysis of scoring functions for virtual screening

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536658

The art and practice of structure-based drug design: A molecular modeling perspective

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536658

Bounds and algorithms for fast exact searches of chemical fingerprints in linear and sublinear time.

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536658

Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536658

Encoding and decoding graphical chemical structures as two-dimensional (PDF417) barcodes.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2536658

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

18 August 2018

1 reference

12 December 2020

1 reference

12 December 2020

Profile scaling increases the similarity search performance of molecular fingerprints containing numerical descriptors and structural keys

1 reference

12 December 2020

Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings

1 reference

12 December 2020

1 reference

12 December 2020

Identifiers

DOI

10.1021/CI700200N

1 reference

journals/jcisd/BaldiBHS07

12 October 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

12 October 2017

1 reference