(Q27902349)

Creative Commons Attribution 4.0 International

volume

7

0 references

issue

1

0 references

page(s)

8

0 references

copyright license

start time

11 March 2015

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Open PHACTS: semantic interoperability for drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

Scientific workflow systems: Pipeline Pilot and KNIME

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

Inroads to predict in vivo toxicology-an introduction to the eTOX Project

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

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=4358905

Collaborative development of predictive toxicology applications

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

Best Practices for QSAR Model Development, Validation, and Exploitation

20 March 2017

1 reference

https://api.crossref.org/works/10.1186/S13321-015-0058-6

Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures

22 April 2017

1 reference

https://api.crossref.org/works/10.1186/S13321-015-0058-6

Applicability Domain ANalysis (ADAN): a robust method for assessing the reliability of drug property predictions

22 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

QSAR workbench: automating QSAR modeling to drive compound design

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

Web-based services for drug design and 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=4358905

AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

Surrogate data--a secure way to share corporate data

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

Sharing chemical information without sharing chemical structure

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4358905

GRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors.

2 June 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0058-6

Why relevant chemical information cannot be exchanged without disclosing structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0058-6

New and Original pKaPrediction Method Using Grid Molecular Interaction Fields

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0058-6

Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D-QSAR Problems

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-015-0058-6

A new method for predicting binding affinity in computer-aided drug design

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25774224

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The WEKA data mining software: an update

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-015-0058-6

10.1186/S13321-015-0058-6

2 January 2022

Identifiers

DOI

0 references

DBLP publication ID

journals/jcheminf/CarrioLSP15

1 reference

DBLP Dataset 2021-01-02