(Q33498586)

27 July 2017

title

No electron left behind: a rule-based expert system to predict chemical reactions and reaction mechanisms (English)

1 reference

27 July 2017

main subject

rule-based expert system

1 reference

2

Pierre Baldi

1 reference

27 July 2017

Jonathan H Chen

1

1 reference

27 July 2017

publication date

1 September 2009

1 reference

Journal of Chemical Information and Modeling

27 July 2017

published in

1 reference

27 July 2017

volume

49

1 reference

27 July 2017

issue

9

1 reference

27 July 2017

page(s)

2034-2043

1 reference

Recent trends in library design: 'rational design' revisited

27 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2758223

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2758223

Man, machine and visual imagery in strategic synthesis planning: computer-perceived precursors for drug candidates

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2758223

Rapid evaluation of synthetic and molecular complexity for in silico chemistry

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2758223

Computer-aided organic synthesis

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2758223

Computer-assisted analysis in organic synthesis

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2758223

Route Designer: a retrosynthetic analysis tool utilizing automated retrosynthetic rule generation.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2758223

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

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2758223

AllChem: generating and searching 10(20) synthetically accessible structures.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2758223

A graph-based toy model of chemistry

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2758223

ROBIA: A Reaction Prediction Program

31 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19719121

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Simulation of organic reactions: from the degradation of chemicals to combinatorial synthesis

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19719121

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CI900157K

1 reference

27 July 2017

DBLP publication ID

journals/jcisd/ChenB09

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

27 July 2017

1 reference