(Q100405847)

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

article with explicit CiTO annotation

16 October 2020

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title

Predicting target profiles with confidence as a service using docking scores (English)

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

16 October 2020

1

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

16 October 2020

9

Ola Spjuth

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Jonathan Alvarsson

4

object named as

Jonathan Alvarsson

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

16 October 2020

5

Arvid Berg

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Wesley Schaal

7

object named as

Wesley Schaal

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author name string

Hiba Alogheli

2

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

16 October 2020

Staffan Arvidsson McShane

3

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

16 October 2020

Anders Larsson

6

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

16 October 2020

Erwin Laure

8

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

16 October 2020

publication date

15 October 2020

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

Journal of Cheminformatics

16 October 2020

published in

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

16 October 2020

volume

12

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

16 October 2020

issue

1

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

Reducing safety-related drug attrition: the use of in vitro pharmacological profiling.

16 October 2020

cites work

5

ChEMBL: a large-scale bioactivity database for drug discovery

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8

Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines

cites as data source

0 references

15

ZINC: a free tool to discover chemistry for biology

0 references

19

The signature molecular descriptor. 1. Using extended valence sequences in QSAR and QSPR studies

cites as data source

0 references

20

Benchmarking study of parameter variation when using signature fingerprints together with support vector machines

0 references

22

0 references

Support-vector networks

23

Fast, accurate, and reliable molecular docking with QuickVina 2.

0 references

25

sc-PDB: an annotated database of druggable binding sites from the Protein Data Bank

0 references

27

Open Babel: An open chemical toolbox

0 references

28

DrugBank: a knowledgebase for drugs, drug actions and drug targets

0 references

30

Algorithmic Learning in a Random World

cites as data source

0 references

31

Introducing conformal prediction in predictive modeling. A transparent and flexible alternative to applicability domain determination.

0 references

32

Binary classification of imbalanced datasets using conformal prediction.

0 references

34

Hedging Predictions in Machine Learning

0 references

36

Efficient iterative virtual screening with Apache Spark and conformal prediction.

0 references

37

Advances and Challenges in Computational Target Prediction

extends the cited work

0 references

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1021/ACS.JCIM.8B00832

Network pharmacology: the next paradigm in drug discovery

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

Criteria of Efficiency for Conformal Prediction

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

TargetHunter: an in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

SNIC Science Cloud (SSC): A National-Scale Cloud Infrastructure for Swedish Academia

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

A Structure-Based Approach for Mapping Adverse Drug Reactions to the Perturbation of Underlying Biological Pathways

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

Tools for in silico target fishing

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

eHiTS: a new fast, exhaustive flexible ligand docking system

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

A multivariate approach to investigate docking parameters' effects on docking performance

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

Comparison of different approaches to define the applicability domain of QSAR models.

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

Improving the efficacy-safety balance of polypharmacology in multi-target drug discovery

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

Polypharmacology - foe or friend?

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

A systematic prediction of multiple drug-target interactions from chemical, genomic, and pharmacological data

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

Development and validation of a genetic algorithm for flexible docking

31 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-020-00464-1

31 October 2021

Identifiers

1 reference

https://api.crossref.org/v1/works/http://dx.doi.org/10.1186/s13321-020-00464-1

journals/jcheminf/AhmedAAABLSLS20

16 October 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02