(Q35543806)

8 August 2017

title

Strategy to discover diverse optimal molecules in the small molecule universe (English)

1 reference

8 August 2017

David N Beratan

4

0 references

author name string

Chetan Rupakheti

series ordinal

1

1 reference

8 August 2017

Aaron Virshup

series ordinal

2

1 reference

8 August 2017

Weitao Yang

series ordinal

3

1 reference

8 August 2017

publication date

19 February 2015

1 reference

Journal of Chemical Information and Modeling

8 August 2017

published in

1 reference

8 August 2017

volume

55

1 reference

8 August 2017

issue

3

1 reference

8 August 2017

page(s)

529-537

1 reference

Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds

8 August 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17.

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

Discovery of α7-nicotinic receptor ligands by virtual screening of the chemical universe database GDB-13.

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

Diversity-oriented synthesis of macrocyclic peptidomimetics

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

Grand challenge commentary: Accessing new chemical space for 'undruggable' targets

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

Impact of different software implementations on the performance of the Maxmin method for diverse subset selection

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: dopamine and benzodiazepine agonists.

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

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

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

The NK model of rugged fitness landscapes and its application to maturation of the immune response

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

Structural diversity of organic chemistry. A scaffold analysis of the CAS Registry.

12 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

The de novo design of median molecules within a property range of interest

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4372820

26 September 2018

Chemical space travel

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25594586

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Cell-based partitioning

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25594586

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CI500749Q

1 reference

journals/jcisd/RupakhetiVYB15

8 August 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

8 August 2017

1 reference