(Q77367422)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11749590%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

title

Development of quantitative structure-property relationship models for early ADME evaluation in drug discovery. 1. Aqueous solubility (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11749590%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

Development of Quantitative Structure−Property Relationship Models for Early ADME Evaluation in Drug Discovery. 1. Aqueous Solubility (English)

1 reference

2 February 2025

1 reference

R. Liu

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A11749590

2 February 2025

S. S. So

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A11749590

2 February 2025

publication date

1 November 2001

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11749590%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

November 2001

1 reference

National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=11749590

2 February 2025

language of work or name

English

1 reference

National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=11749590

full work available at URL

2 February 2025

https://pubs.acs.org/doi/pdf/10.1021/ci010289j

1 reference

Journal of Chemical Information and Computer Sciences

2 February 2025

published in

0 references

volume

41

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11749590%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

issue

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11749590%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

page(s)

1633-1639

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11749590%20AND%20SRC:MED&resulttype=core&format=json

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

5 December 2019

cites work

2 references

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI9901338

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

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

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-Type Electrotopological State Indices

2 references

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI9904261

Solubility and partitioning I: Solubility of nonelectrolytes in water

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

Genetic neural networks for quantitative structure-activity relationships: improvements and application of benzodiazepine affinity for benzodiazepine/GABAA receptors

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

Polar molecular surface properties predict the intestinal absorption of drugs in humans

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

Predicting drug absorption from molecular surface properties based on molecular dynamics simulations

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

Correlation of drug absorption with molecular surface properties

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

Prediction of the intestinal absorption of endothelin receptor antagonists using three theoretical methods of increasing complexity

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

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

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

Prediction of membrane permeability to peptides from calculated dynamic molecular surface properties

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

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

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010289J

Journal of Pharmaceutical Sciences

4

88

880

Abraham M. H.

1999

1 reference

Journal of Chemical Information and Computer Sciences

2 February 2025

8

38

496

Mitchell B. E.

1998

1 reference

Journal of Medicinal Chemistry

2 February 2025

26

39

5256

So S.-S.

1996

1 reference

2 February 2025

Identifiers

DOI

10.1021/CI010289J

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11749590%20AND%20SRC:MED&resulttype=core&format=json

5 December 2019

DBLP publication ID

journals/jcisd/LiuS01

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference