(Q30361816)

20 June 2017

Computational chemogenomics: is it more than inductive transfer? (English)

1 reference

20 June 2017

Gilles Marcou

3

0 references

Dragos Horvath

series ordinal

5

object named as

Dragos Horvath

1 reference

20 June 2017

J B Brown

1

1 reference

PubMed ID

24771144

20 June 2017

Yasushi Okuno

series ordinal

2

1 reference

PubMed ID

24771144

20 June 2017

Alexandre Varnek

series ordinal

4

1 reference

20 June 2017

27 April 2014

1 reference

Journal of Computer - Aided Molecular Design

20 June 2017

1 reference

20 June 2017

28

1 reference

20 June 2017

6

1 reference

20 June 2017

597-618

1 reference

https://scigraph.springernature.com/pub.10.1007/s10822-014-9743-1

20 June 2017

0 references

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21 January 2018

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21 January 2018

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21 January 2018

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Fuzzy tricentric pharmacophore fingerprints. 1. Topological fuzzy pharmacophore triplets and adapted molecular similarity scoring schemes.

21 January 2018

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CompoundProtein Interaction Prediction Within Chemogenomics: Theoretical Concepts, Practical Usage, and Future Directions

21 January 2018

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Systems biology and systems chemistry: new directions for drug discovery

21 January 2018

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21 January 2018

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A physicogenetic method to assign ligand-binding relationships between 7TM receptors

21 January 2018

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ChEMBL: a large-scale bioactivity database for drug discovery

21 January 2018

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Stochastic versus stepwise strategies for quantitative structure-activity relationship generation--how much effort may the mining for successful QSAR models take?

21 January 2018

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Do not hesitate to use Tversky-and other hints for successful active analogue searches with feature count descriptors

21 January 2018

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Computational drug repositioning: from data to therapeutics

21 January 2018

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Virtual screening of GPCRs: an in silico chemogenomics approach

21 January 2018

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Protein-ligand interaction prediction: an improved chemogenomics approach.

21 January 2018

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Generalized proteochemometric model of multiple cytochrome p450 enzymes and their inhibitors

21 January 2018

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A look inside HIV resistance through retroviral protease interaction maps

21 January 2018

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Proteochemometric modeling of HIV protease susceptibility

21 January 2018

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Development of proteo-chemometrics: a novel technology for the analysis of drug-receptor interactions

21 January 2018

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Mismatch string kernels for discriminative protein classification

21 January 2018

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PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence

21 January 2018

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Shifting from the single to the multitarget paradigm in drug discovery

21 January 2018

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Update of PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence

21 January 2018

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Inferring multi-target QSAR models with taxonomy-based multi-task learning.

21 January 2018

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Quantitative structure-property relationship modeling: a valuable support in high-throughput screening quality control.

21 January 2018

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ISIDA Property-Labelled Fragment Descriptors.

21 January 2018

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New chemical descriptors relevant for the design of biologically active peptides. A multivariate characterization of 87 amino acids

21 January 2018

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Interaction model based on local protein substructures generalizes to the entire structural enzyme-ligand space.

21 January 2018

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Neural network studies. 4. Introduction to associative neural networks.

21 January 2018

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Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development

21 January 2018

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Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

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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Ligand prediction for orphan targets using support vector machines and various target-ligand kernels is dominated by nearest neighbor effects

21 January 2018

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Development and validation of a novel protein-ligand fingerprint to mine chemogenomic space: application to G protein-coupled receptors and their ligands.

21 January 2018

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Alignment-free ultra-high-throughput comparison of druggable protein-ligand binding sites

21 January 2018

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Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

21 January 2018

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Amino acid side chain descriptors for quantitative structure-activity relationship studies of peptide analogues

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24771144

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Analysis of multiple compound-protein interactions reveals novel bioactive molecules

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24771144

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A novel method for protein-ligand binding affinity prediction and the related descriptors exploration

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24771144

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-014-9743-1

1 reference

journals/jcamd/BrownOMVH14

20 June 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PubMed ID

24771144