(Q34038641)

30 July 2017

When is chemical similarity significant? The statistical distribution of chemical similarity scores and its extreme values (English)

1 reference

30 July 2017

0 references

1

Pierre Baldi

1 reference

30 July 2017

Ramzi Nasr

2

1 reference

30 July 2017

1 July 2010

1 reference

Journal of Chemical Information and Modeling

30 July 2017

1 reference

30 July 2017

50

1 reference

30 July 2017

1205-1222

1 reference

30 July 2017

7

1 reference

PubChem: a public information system for analyzing bioactivities of small molecules

30 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

BLASTing small molecules--statistics and extreme statistics of chemical similarity scores

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

Relating protein pharmacology by ligand chemistry

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

Database resources of the National Center for Biotechnology Information

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

Cheminformatics analysis and learning in a data pipelining environment

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

Is there a difference between leads and drugs? A historical perspective

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

Detailed analysis of scoring functions for virtual screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

ChemDB update--full-text search and virtual chemical space.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

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

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2914517

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

29 October 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/CI100010V

1 reference

30 July 2017

journals/jcisd/BaldiN10

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

30 July 2017

1 reference

PubMed ID

20540577