(Q38323150)

2 September 2017

A novel chemometric method for the prediction of human oral bioavailability (English)

1 reference

2 September 2017

1 reference

Xue Xu

1

1 reference

2 September 2017

Wuxia Zhang

2

1 reference

2 September 2017

Chao Huang

3

1 reference

2 September 2017

Yan Li

4

1 reference

2 September 2017

Hua Yu

5

1 reference

2 September 2017

Yonghua Wang

6

1 reference

2 September 2017

Jinyou Duan

7

1 reference

2 September 2017

Yang Ling

8

1 reference

2 September 2017

language of work or name

English

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publication date

7 June 2012

1 reference

International Journal of Molecular Sciences

2 September 2017

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2 September 2017

13

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2 September 2017

6

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2 September 2017

6964-6982

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Creative Commons Attribution 4.0 International

2 September 2017

start time

7 June 2012

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Recent developments of in silico predictions of intestinal absorption and oral bioavailability

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

The role of ABC transporters in drug absorption, distribution, metabolism, excretion and toxicity (ADME-Tox).

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

QSAR studies about cytotoxicity of benzophenazines with dual inhibition toward both topoisomerases I and II: 3D-MoRSE descriptors and statistical considerations about variable selection

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Unmasking the dynamic interplay between efflux transporters and metabolic enzymes.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

The ABCs of drug transport in intestine and liver: efflux proteins limiting drug absorption and bioavailability

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

The mucosa of the small intestine: how clinically relevant as an organ of drug metabolism?

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

The emerging importance of predictive ADME simulation in drug discovery

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Bioavailability and bioequivalence: an FDA regulatory overview

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Feature selection and linear/nonlinear regression methods for the accurate prediction of glycogen synthase kinase-3beta inhibitory activities

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

ADME evaluation in drug discovery. 9. Prediction of oral bioavailability in humans based on molecular properties and structural fingerprints.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Influence of P-glycoprotein on embryotoxicity of the antifouling biocides to sea urchin (Strongylocentrotus intermedius).

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Studies of benzothiadiazine derivatives as hepatitis C virus NS5B polymerase inhibitors using 3D-QSAR, molecular docking and molecular dynamics

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Prediction of binding affinity for estrogen receptor alpha modulators using statistical learning approaches.

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Explorations into modeling human oral bioavailability

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Prediction models of human plasma protein binding rate and oral bioavailability derived by using GA-CG-SVM method.

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Clustering of the self-organizing map.

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

ADME evaluation in drug discovery. 6. Can oral bioavailability in humans be effectively predicted by simple molecular property-based rules?

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Greater than the sum of its parts: combining models for useful ADMET prediction

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Generation of QSAR sets with a self-organizing map.

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

ADME evaluation in drug discovery. 1. Applications of genetic algorithms to the prediction of blood-brain partitioning of a large set of drugs.

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

QSAR model for drug human oral bioavailability.

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3397506

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

31 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.3390%2FIJMS13066964

The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.3390%2FIJMS13066964

Weighted holistic invariant molecular descriptors. Part 2. Theory development and applications on modeling physicochemical properties of polyaromatic hydrocarbons

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.3390%2FIJMS13066964

Structure-ADME relationship: still a long way to go?

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22837674

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Prediction of drug absorption using multivariate statistics

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22837674

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.3390/IJMS13066964

1 reference

2 September 2017

1 reference

2 September 2017

PubMed publication ID

22837674

1 reference