(Q26750642)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

title

Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screening (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

0 references

1 reference

Antoniya Aleksandrova

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

Pedro J. Ballester

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

3

Florian D Roessler

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

author name string

Qurrat Ul Ain

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

language of work or name

English

0 references

publication date

28 August 2015

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

Wiley Interdisciplinary Reviews: Computational Molecular Science

2 April 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

volume

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

issue

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

page(s)

405-424

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

Structure-based activity prediction for an enzyme of unknown function

2 April 2020

cites work

1 reference

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Structure-based virtual screening for drug discovery: a problem-centric review

7 April 2017

1 reference

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Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening

7 April 2017

1 reference

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Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry

7 April 2017

1 reference

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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

7 April 2017

1 reference

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Open Drug Discovery Toolkit (ODDT): a new open-source player in the drug discovery field

7 April 2017

1 reference

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A Comparative Assessment of Predictive Accuracies of Conventional and Machine Learning Scoring Functions for Protein-Ligand Binding Affinity Prediction

7 April 2017

1 reference

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Integrating docking scores, interaction profiles and molecular descriptors to improve the accuracy of molecular docking: toward the discovery of novel Akt1 inhibitors

7 April 2017

1 reference

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istar: a web platform for large-scale protein-ligand docking

7 April 2017

1 reference

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Comparing neural-network scoring functions and the state of the art: applications to common library 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=4832270

Characterization of small molecule binding. I. Accurate identification of strong inhibitors in virtual screening

7 April 2017

1 reference

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ChEMBL: a large-scale bioactivity database for drug discovery

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Support vector regression scoring of receptor-ligand complexes for rank-ordering and virtual screening of chemical libraries

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Ultrafast shape recognition: method and applications

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

A machine learning-based method to improve docking scoring functions and its application to drug repurposing

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Virtual screening: an endless staircase?

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Lead optimization via high-throughput molecular docking

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

eHiTS: a new fast, exhaustive flexible ligand docking system

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Development and validation of a genetic algorithm for flexible docking

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Chemical, target, and bioactive properties of allosteric modulation

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Combining machine learning systems and multiple docking simulation packages to improve docking prediction reliability for network pharmacology

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

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

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

ZINC: a free tool to discover chemistry for biology

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Benchmarking sets for molecular docking

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

A critical assessment of docking programs and scoring functions

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Low-Quality Structural and Interaction Data Improves Binding Affinity Prediction via Random Forest.

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Improvements, trends, and new ideas in molecular docking: 2012-2013 in review.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Machine learning methods in chemoinformatics

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Substituting random forest for multiple linear regression improves binding affinity prediction of scoring functions: Cyscore as a case study

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Comparative assessment of scoring functions on an updated benchmark: 2. Evaluation methods and general results

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity?

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Computation of binding energies including their enthalpy and entropy components for protein-ligand complexes using support vector machines.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Optimization of molecular docking scores with support vector rank regression

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Drug repositioning by structure-based virtual screening

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Machine learning techniques and drug design.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Predictive cheminformatics in drug discovery: statistical modeling for analysis of micro-array and gene expression data.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Bioinformatics and variability in drug response: a protein structural perspective

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

NNScore 2.0: a neural-network receptor-ligand scoring function

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Exploiting PubChem for Virtual Screening

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Comments on "leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets": significance for the validation of scoring functions.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Target-specific support vector machine scoring in structure-based virtual screening: computational validation, in vitro testing in kinases, and effects on lung cancer cell proliferation

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

BINANA: a novel algorithm for ligand-binding characterization

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

NNScore: a neural-network-based scoring function for the characterization of protein-ligand complexes

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Scoring functions and their evaluation methods for protein-ligand docking: recent advances and future directions.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

A CROC stronger than ROC: measuring, visualizing and optimizing early retrieval.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Binding affinity prediction with property-encoded shape distribution signatures

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

A statistical framework to evaluate virtual screening

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Maximum unbiased validation (MUV) data sets for virtual screening based on PubChem bioactivity data

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Efficient drug lead discovery and optimization

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Computational evaluation of protein-small molecule binding.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

A general approach for developing system-specific functions to score protein-ligand docked complexes using support vector inductive logic programming.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

A review of feature selection techniques in bioinformatics

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Free resources to assist structure-based virtual ligand screening experiments

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Molecular mechanics methods for predicting protein-ligand binding.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Prediction of protein-ligand interactions. Docking and scoring: successes and gaps

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

GFscore: a general nonlinear consensus scoring function for high-throughput docking

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfaces

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

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

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

A comparative study of family-specific protein-ligand complex affinity prediction based on random forest approach

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Assessment of machine learning reliability methods for quantifying the applicability domain of QSAR regression models.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Machine learning estimates of natural product conformational energies

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Using random forest to model the domain applicability of another random forest model

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Combining machine learning and pharmacophore-based interaction fingerprint for in silico screening.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

PostDOCK: a structural, empirical approach to scoring protein ligand complexes.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Optimizing the affinity and specificity of ligand binding with the inclusion of solvation effect.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Improved protein-ligand binding affinity prediction by using a curvature-dependent surface-area model

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Binding affinity prediction for protein-ligand complexes based on β contacts and B factor.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Experimental versus predicted affinities for ligand binding to estrogen receptor: iterative selection and rescoring of docked poses systematically improves the correlation

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Water network perturbation in ligand binding: adenosine A(2A) antagonists as a case study.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

SFCscore(RF): a random forest-based scoring function for improved affinity prediction of protein-ligand complexes

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Mining free compound databases to identify candidates selected by virtual screening

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

aCSM: noise-free graph-based signatures to large-scale receptor-based ligand prediction.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

ID-Score: a new empirical scoring function based on a comprehensive set of descriptors related to protein-ligand interactions

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Consensus docking: improving the reliability of docking in a virtual screening context

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

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

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

CScore: a simple yet effective scoring function for protein-ligand binding affinity prediction using modified CMAC learning architecture.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Let's get honest about sampling.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Comparative assessment of scoring functions on a diverse test set.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

SFCscore: scoring functions for affinity prediction of protein-ligand complexes.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

General and targeted statistical potentials for protein-ligand interactions.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Predicting protein-ligand binding affinities using novel geometrical descriptors and machine-learning methods.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

Knowledge-based scoring function to predict protein-ligand interactions.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4832270

LigScore: a novel scoring function for predicting binding affinities

28 November 2018

1 reference

12 December 2020

Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4

1 reference

12 December 2020

Distance dependent scoring function for describing protein-ligand intermolecular interactions

1 reference

12 December 2020

Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models

1 reference

12 December 2020

Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization

1 reference

12 December 2020

Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data Sets

1 reference

12 December 2020

A PLS kernel algorithm for data sets with many variables and fewer objects. Part 1: Theory and algorithm

1 reference

7 January 2021

Principles of QSAR models validation: internal and external

1 reference

7 January 2021

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

1 reference

7 January 2021

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

1 reference

7 January 2021

Ultrafast shape recognition for similarity search in molecular databases

1 reference

7 January 2021

Identifiers

DOI

10.1002/WCMS.1225

2 references

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

2302144

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

OpenCitations bibliographic resource ID

2 April 2020

2302144

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

PubMed publication ID

27110292

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27110292%20AND%20SRC:MED&resulttype=core&format=json