(Q45964726)

English

Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility.

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scholarly article

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility. (English)

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

blood–brain barrier

1 reference

based on heuristic

inferred from title

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based on heuristic

inferred from title

author name string

Olga Obrezanova

1

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

Joelle M R Gola

2

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

Edmund J Champness

3

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

Matthew D Segall

4

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

publication date

14 February 2008

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

Journal of Computer - Aided Molecular Design

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

22

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Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

6-7

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

431-440

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

https://scigraph.springernature.com/pub.10.1007/s10822-008-9193-8

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Unsupervised forward selection: a method for eliminating redundant variables.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Modeling aqueous solubility

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Gaussian processes: a method for automatic QSAR modeling of ADME properties.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Modelling blood-brain barrier partitioning using Bayesian neural nets.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quantitative structure-activity relationship studies using Gaussian processes

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Accurate solubility prediction with error bars for electrolytes: a machine learning approach.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Nonlinear prediction of quantitative structure-activity relationships.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Gaussian process: an efficient technique to solve quantitative structure-property relationship problems

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Modeling blood-brain barrier partitioning using the electrotopological state.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated QSPR through Competitive Workflow

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules

1 reference

https://pubmed.ncbi.nlm.nih.gov/18273554

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/S10822-008-9193-8

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

DBLP publication ID

journals/jcamd/ObrezanovaGCS08

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

0 references

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/18273554

ResearchGate publication ID

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