(Q59651982)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

title

Large-scale comparison of machine learning methods for drug target prediction on ChEMBL (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

0 references

1 reference

1 reference

drug target prediction

17 February 2024

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

Günter Klambauer

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

Thomas Unterthiner

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

Jörg Kurt Wegner

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

Hugo Ceulemans

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

Djork-Arné Clevert

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

Sepp Hochreiter

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

author name string

Marvin Steijaert

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

language of work or name

English

0 references

publication date

6 June 2018

1 reference

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20 April 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

volume

9

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

issue

24

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

page(s)

5441-5451

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution-NonCommercial 3.0 Unported

20 April 2020

copyright license

start time

6 June 2018

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

The meaning and use of the area under a receiver operating characteristic (ROC) curve

1 reference

12 December 2020

Long short-term memory

1 reference

12 December 2020

Reoptimization of MDL keys for use in drug discovery

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12 December 2020

Classification of kinase inhibitors using a Bayesian model

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12 December 2020

Derivation and validation of toxicophores for mutagenicity prediction

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12 December 2020

Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity.

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12 December 2020

Application of the random forest method in studies of local lymph node assay based skin sensitization data

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12 December 2020

Random forest models to predict aqueous solubility.

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12 December 2020

Relating protein pharmacology by ligand chemistry

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12 December 2020

Application of random forest approach to QSAR prediction of aquatic toxicity

1 reference

12 December 2020

Predicting new molecular targets for known drugs

1 reference

12 December 2020

Extended-connectivity fingerprints

1 reference

12 December 2020

Interpreting linear support vector machine models with heat map molecule coloring

1 reference

12 December 2020

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

1 reference

12 December 2020

Time-split cross-validation as a method for estimating the goodness of prospective prediction

1 reference

12 December 2020

Representation learning: a review and new perspectives

1 reference

12 December 2020

Monitoring drug target engagement in cells and tissues using the cellular thermal shift assay.

1 reference

12 December 2020

The ChEMBL bioactivity database: an update

1 reference

12 December 2020

Deep neural nets as a method for quantitative structure-activity relationships

1 reference

12 December 2020

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach.

1 reference

12 December 2020

Molecular graph convolutions: moving beyond fingerprints.

1 reference

12 December 2020

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost.

1 reference

12 December 2020

Deep-learning: investigating deep neural networks hyper-parameters and comparison of performance to shallow methods for modeling bioactivity data.

1 reference

12 December 2020

DeepSynergy: Predicting anti-cancer drug synergy with Deep Learning

1 reference

12 December 2020

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

1 reference

12 December 2020

ChemTS: an efficient python library for de novo molecular generation

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12 December 2020

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.

1 reference

12 December 2020

Planning chemical syntheses with deep neural networks and symbolic AI.

1 reference

12 December 2020

MoleculeNet: a benchmark for molecular machine learning.

1 reference

12 December 2020

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

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

11 September 2021

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-3-3

Reliable estimation of prediction errors for QSAR models under model uncertainty using double cross-validation

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-014-0047-1

Molecular de-novo design through deep reinforcement learning

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-017-0235-X

3 January 2022

Identifiers

DOI

10.1039/C8SC00148K

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:30155234%20AND%20SRC:MED&resulttype=core&format=json

20 April 2020

PubMed publication ID

30155234

1 reference