(Q45966554)

18 December 2017

title

Classifying "kinase inhibitor-likeness" by using machine-learning methods. (English)

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18 December 2017

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Hans Briem

1

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18 December 2017

Judith Günther

series ordinal

2

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18 December 2017

publication date

1 March 2005

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18 December 2017

published in

ChemBioChem

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18 December 2017

volume

6

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18 December 2017

issue

3

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18 December 2017

page(s)

558-566

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18 December 2017

describes a project that uses

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Hit and lead generation: beyond high-throughput screening

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https://api.crossref.org/works/10.1002%2FCBIC.200400109

Industrial-scale, genomics-based drug design and discovery.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Medicinal chemistry of target family-directed masterkeys

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

The protein kinase complement of the human genome

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Protein kinases--the major drug targets of the twenty-first century?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Receptor tyrosine kinases: the main targets for new anticancer therapy

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Sequence and structure classification of kinases

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Recent kinase and kinase inhibitor X-ray structures: mechanisms of inhibition and selectivity insights

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Structural classification of protein kinases using 3D molecular interaction field analysis of their ligand binding sites: target family landscapes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

The conformational plasticity of protein kinases

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Structural aspects of protein kinase control-role of conformational flexibility

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

A scoring scheme for discriminating between drugs and nondrugs.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Can we learn to distinguish between "drug-like" and "nondrug-like" molecules?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Selecting screening candidates for kinase and G protein-coupled receptor targets using neural networks.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Protein kinase inhibitors: insights into drug design from structure.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Designing inhibitors of cyclin-dependent kinases

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Reoptimization of MDL keys for use in drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Prediction of the isoelectric point of an amino acid based on GA-PLS and SVMs.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Support vector machines for the estimation of aqueous solubility

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Comparison of support vector machine and artificial neural network systems for drug/nondrug classification

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Active learning with support vector machines in the drug discovery process.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Drug design by machine learning: support vector machines for pharmaceutical data analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Predicting conserved water-mediated and polar ligand interactions in proteins using a K-nearest-neighbors genetic algorithm.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

Atomic Physicochemical Parameters for Three-Dimensional Structure-Directed Quantitative Structure-Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCBIC.200400109

21 January 2018

Identifiers

DOI

10.1002/CBIC.200400109

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18 December 2017

1 reference

18 December 2017