(Q27902247)

8

object named as

Ai-Ping Lu

0 references

author name string

Jie Dong

1

0 references

Dong-Sheng Cao

2

0 references

Hong-Yu Miao

3

0 references

Shao Liu

4

0 references

Bai-Chuan Deng

5

0 references

Yong-Huan Yun

6

0 references

Ning-Ning Wang

7

0 references

Wen-Bin Zeng

9

0 references

Alex F Chen

Journal of Cheminformatics

10

0 references

publication date

2015

0 references

published in

1 reference

Creative Commons Attribution 4.0 International

volume

7

0 references

page(s)

60

0 references

issue

1

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copyright license

start time

1 December 2015

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

describes a project that uses

scikit-learn

object named as

scikit-learn

1 reference

CZ Software Mentions: A large dataset of software mentions in the biomedical literature

exact match

https://scigraph.springernature.com/pub.10.1186/s13321-015-0109-z

0 references

cites work

Open Babel: An open chemical toolbox

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Predicting drug-target interaction networks based on functional groups and biological features

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Drug target identification using side-effect similarity

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Relating protein pharmacology by ligand chemistry

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Molecular fingerprint similarity search in virtual screening

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Proteochemometric modeling in a Bayesian framework

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

AllergenFP: allergenicity prediction by descriptor fingerprints.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

PyDPI: freely available python package for chemoinformatics, bioinformatics, and chemogenomics studies

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

ChemoPy: freely available python package for computational biology and chemoinformatics.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Fingerprint design and engineering strategies: rationalizing and improving similarity search performance

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Advances in computational methods to predict the biological activity of compounds.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Predicting new indications for approved drugs using a proteochemometric method

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Electrotopological state atom (E-state) index in drug design, QSAR, property prediction and toxicity assessment

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Atom type preferences, structural diversity, and property profiles of known drugs, leads, and nondrugs: a comparative assessment

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Predictions of the ADMET properties of candidate drug molecules utilizing different QSAR/QSPR modelling approaches

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Medicinal chemistry and bioinformatics--current trends in drugs discovery with networks topological indices

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4674923

Large-scale prediction of human kinase-inhibitor interactions using protein sequences and molecular topological structures.

2 June 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0109-Z

Prediction of acetylcholinesterase inhibitors and characterization of correlative molecular descriptors by machine learning methods.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0109-Z

Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0109-Z

Towards Proteome-Wide Interaction Models Using the Proteochemometrics Approach

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0109-Z

Rcpi: R/Bioconductor package to generate various descriptors of proteins, compounds and their interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0109-Z

Study on human GPCR-inhibitor interactions by proteochemometric modeling.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0109-Z

3D molecular descriptors important for clinical success

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26664458

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Computer-aided prediction of toxicity with substructure pattern and random forest

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-015-0109-Z

10.1186/S13321-015-0109-Z

2 January 2022

Identifiers

DOI

1 reference

journals/jcheminf/DongCMLDYWLZC15

3168063

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/s13321-015-0109-z

3168063

1 reference

1 reference

1 reference