(Q38854003)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

13 March 2020

review article

1 reference

title

A renaissance of neural networks in drug discovery (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

13 March 2020

1 reference

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

13 March 2020

David Winkler

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

13 March 2020

David Winkler

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

13 March 2020

Igor V. Tetko

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

13 March 2020

language of work or name

English

0 references

publication date

4 July 2016

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

Expert Opinion on Drug Discovery

13 March 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

13 March 2020

volume

11

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

13 March 2020

page(s)

785-795

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

13 March 2020

issue

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

A logical calculus of the ideas immanent in nervous activity

13 March 2020

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Application of neural networks to large dataset QSAR, virtual screening, and library design

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Use of artificial neural networks in the QSAR prediction of physicochemical properties and toxicities for REACH legislation

21 January 2018

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On the Basis of Invariants of Labeled Molecular Graphs

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Robust QSAR models using Bayesian regularized neural networks.

21 January 2018

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Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficients.

21 January 2018

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The learned symmetry concept in revealing quantitative structure-activity relationships with artificial neural networks.

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21 January 2018

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An approach to the interpretation of backpropagation neural network models in QSAR studies.

21 January 2018

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Novelty detection: a review—part 2:

21 January 2018

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One-class classification as a novel method of ligand-based virtual screening: the case of glycogen synthase kinase 3β inhibitors.

21 January 2018

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A Practical Bayesian Framework for Backpropagation Networks

21 January 2018

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Search for predictive generic model of aqueous solubility using Bayesian neural nets.

21 January 2018

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logD7.4 modeling using Bayesian Regularized Neural Networks. Assessment and correction of the errors of prediction

21 January 2018

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A quantitative structure--activity relationships model for the acute toxicity of substituted benzenes to Tetrahymena pyriformis using Bayesian-regularized neural networks.

21 January 2018

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Predictive Bayesian neural network models of MHC class II peptide binding.

21 January 2018

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Modelling inhalational anaesthetics using bayesian feature selection and QSAR modelling methods.

21 January 2018

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

21 January 2018

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Aqueous solubility prediction: do crystal lattice interactions help?

21 January 2018

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Modelling blood-brain barrier partitioning using Bayesian neural nets.

21 January 2018

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Broad-based quantitative structure-activity relationship modeling of potency and selectivity of farnesyltransferase inhibitors using a Bayesian regularized neural network

21 January 2018

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Genetic neural network modeling of the selective inhibition of the intermediate-conductance Ca2+ -activated K+ channel by some triarylmethanes using topological charge indexes descriptors.

21 January 2018

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Genetic algorithm optimization in drug design QSAR: Bayesian-regularized genetic neural networks (BRGNN) and genetic algorithm-optimized support vectors machines (GA-SVM).

21 January 2018

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Modeling biological activities of nanoparticles

21 January 2018

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Applying quantitative structure-activity relationship approaches to nanotoxicology: current status and future potential.

21 January 2018

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Applications of neural networks in structure-activity relationships of a small number of molecules.

21 January 2018

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Identifying Important Risk Factors for Survival in Kidney Graft Failure Patients Using Random Survival Forests

21 January 2018

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Three new consensus QSAR models for the prediction of Ames genotoxicity.

21 January 2018

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Exploiting Multiple Descriptor Sets in QSAR Studies

21 January 2018

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A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition.

21 January 2018

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QSAR models and scaffold-based analysis of non-nucleoside HIV RT inhibitors

21 January 2018

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21 January 2018

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Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection

21 January 2018

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Applicability domain for in silico models to achieve accuracy of experimental measurements

21 January 2018

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Corticofugal modulation of functional connectivity within the auditory thalamus of rat, guinea pig and cat revealed by cooling deactivation

21 January 2018

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Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program

21 January 2018

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21 January 2018

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21 January 2018

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Large-scale evaluation of log P predictors: local corrections may compensate insufficient accuracy and need of experimentally testing every other compound

21 January 2018

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How accurately can we predict the melting points of drug-like compounds?

21 January 2018

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21 January 2018

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21 January 2018

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The comparative molecular surface analysis (COMSA)--a nongrid 3D QSAR method by a coupled neural network and PLS system: predicting pK(a) values of benzoic and alkanoic acids

21 January 2018

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Volume learning algorithm artificial neural networks for 3D QSAR studies.

21 January 2018

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Classification of Mixtures of Chinese Herbal Medicines Based on a Self-organizing Map (SOM).

21 January 2018

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Hybrid Network Model for "Deep Learning" of Chemical Data: Application to Antimicrobial Peptides

21 January 2018

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Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge

21 January 2018

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GTM-Based QSAR Models and Their Applicability Domains.

21 January 2018

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Generative topographic mapping-based classification models and their applicability domain: application to the biopharmaceutics Drug Disposition Classification System (BDDCS).

21 January 2018

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Stargate GTM: Bridging Descriptor and Activity Spaces.

21 January 2018

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A Neural Device for Searching Direct Correlations between Structures and Properties of Chemical Compounds

21 January 2018

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Analysis of the internal representations developed by neural networks for structures applied to quantitative structure--activity relationship studies of benzodiazepines

21 January 2018

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Predicting activities without computing descriptors: graph machines for QSAR

21 January 2018

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A bayesian recurrent neural network for unsupervised pattern recognition in large incomplete data sets

21 January 2018

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Representation learning: a review and new perspectives

21 January 2018

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Gradient-based learning applied to document recognition

21 January 2018

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Machine learning methods for property prediction in chemoinformatics: Quo Vadis?

21 January 2018

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QSAR modeling: where have you been? Where are you going to?

21 January 2018

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21 January 2018

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21 January 2018

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Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?

21 January 2018

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Impact of distance-based metric learning on classification and visualization model performance and structure-activity landscapes.

21 January 2018

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Consensus Modeling for HTS Assays Using In silico Descriptors Calculates the Best Balanced Accuracy in Tox21 Challenge

21 January 2018

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Application of a Recurrent Neural Network to Prediction of Drug Dissolution Profiles

21 January 2018

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10.1080/17460441.2016.1201262

21 January 2018

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27295548%20AND%20SRC:MED&resulttype=core&format=json

13 March 2020

1 reference