Tautomerism in large databases (Q33918117)

30 July 2017

Tautomerism in large databases (English)

1 reference

30 July 2017

Wolf-Dietrich Ihlenfeldt

2

object named as

Wolf-Dietrich Ihlenfeldt

0 references

Markus Sitzmann

1

object named as

Markus Sitzmann

1 reference

30 July 2017

Wolf-Dietrich Ihlenfeldt

2

1 reference

PubMed ID

20512400

30 July 2017

Marc C Nicklaus

3

1 reference

30 July 2017

29 May 2010

1 reference

Journal of Computer - Aided Molecular Design

30 July 2017

1 reference

30 July 2017

24

1 reference

30 July 2017

6-7

1 reference

30 July 2017

521-551

1 reference

https://scigraph.springernature.com/pub.10.1007/s10822-010-9346-4

30 July 2017

0 references

cites work

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2886898

Tautomer enumeration and stability prediction for virtual screening on large chemical databases

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2886898

Internet resources integrating many small-molecule databases.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2886898

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=2886898

Tautomeric equilibria in relation to pi-electron delocalization

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2886898

Tautomerism in computer-aided drug design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2886898

Reoptimization of MDL keys for use in drug discovery

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2886898

Enhanced CACTVS browser of the Open NCI Database

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2886898

Implementation of a system for reagent selection and library enumeration, profiling, and design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2886898

Advanced exact structure searching in large databases of chemical compounds.

5 July 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-010-9346-4

Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-010-9346-4

The impact of tautomer forms on pharmacophore-based virtual screening.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2886898

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

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2886898

Epik: a software program for pK( a ) prediction and protonation state generation for drug-like molecules

29 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20512400

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-010-9346-4

1 reference

journals/jcamd/SitzmannIN10

30 July 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

30 July 2017

1 reference

PubMed ID

20512400