(Q35053157)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

review article

1 reference

title

Application of hydrogen bonding calculations in property based drug design (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

author name string

Michael H Abraham

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

Adam Ibrahim

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

Yuan H Zhao

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

John Comer

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

Derek P Reynolds

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

publication date

1 October 2002

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

volume

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

issue

20

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

page(s)

1056-1063

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

ADMET--turning chemicals into drugs

17 December 2019

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Property-based design: optimization of drug absorption and pharmacokinetics

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

A theoretical basis for a biopharmaceutic drug classification: the correlation of in vitro drug product dissolution and in vivo bioavailability

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Estimation of molecular linear free energy relationship descriptors by a group contribution approach. 2. Prediction of partition coefficients

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Computational methods for the prediction of 'drug-likeness'

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Estimation of molecular linear free energy relationship descriptors. 4. Correlation and prediction of cell permeation.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Prediction of polar surface area and drug transport processes using simple parameters and PLS statistics

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Property distribution of drug-related chemical databases.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Molecular complexity and its impact on the probability of finding leads for drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Is there a difference between leads and drugs? A historical perspective

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

1 reference

7 January 2021

Evaluation of dynamic polar molecular surface area as predictor of drug absorption: comparison with other computational and experimental predictors

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Toward minimalistic modeling of oral drug absorption.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Prediction of human intestinal absorption of drug compounds from molecular structure.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Estimation of blood-brain barrier crossing of drugs using molecular size and shape, and H-bonding descriptors.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Theoretical calculation and prediction of brain-blood partitioning of organic solutes using MolSurf parametrization and PLS statistics

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Polar molecular surface as a dominating determinant for oral absorption and brain penetration of drugs

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Predicting blood-brain barrier permeation from three-dimensional molecular structure.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Correlation and prediction of a large blood-brain distribution data set--an LFER study

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Investigation of the mechanism of flux across human skin in vitro by quantitative structure-permeability relationships.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

A predictive algorithm for skin permeability: the effects of molecular size and hydrogen bond activity

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Epidermal permeability-penetrant structure relationships: 4, QSAR of permeant diffusion across human stratum corneum in terms of molecular weight, H-bonding and electronic charge

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Algorithms for skin permeability using hydrogen bond descriptors: the problem of steroids.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Permeability of cornea, sclera, and conjunctiva: a literature analysis for drug delivery to the eye.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Hydrogen Bond Structural Group Constants

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

ElogPoct: a tool for lipophilicity determination in drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Characterizing the selectivity of stationary phases and organic modifiers in reversed-phase high-performance liquid chromatographic systems by a general solvation equation using gradient elution

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Hydrogen bonding. 30. Solubility of gases and vapors in biological liquids and tissues.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

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://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Molecular factors influencing drug transfer across the blood-brain barrier.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

On the mechanism of human intestinal absorption.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

Molecular properties that influence the oral bioavailability of drug candidates

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902478-9

7 January 2021

10.1016/S1359-6446(02)02478-9

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12546895%20AND%20SRC:MED&resulttype=core&format=json

17 December 2019

1 reference