(Q52053484)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11604042%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

title

Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11604042%20AND%20SRC:MED&resulttype=core&format=json

artificial neural network

12 November 2019

main subject

database

0 references

0 references

author

Igor V. Tetko

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11604042%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

Alessandro E.P Villa

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11604042%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

author name string

V Y Tanchuk

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11604042%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

publication date

1 September 2001

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11604042%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Information and Computer Sciences

12 November 2019

published in

0 references

volume

41

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11604042%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

issue

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11604042%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

page(s)

1407-1421

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11604042%20AND%20SRC:MED&resulttype=core&format=json

describes a project that uses

12 November 2019

artificial neural network

1 reference

based on heuristic

inferred from title

cites work

Atom/fragment contribution method for estimating octanol-water partition coefficients.

1 reference

27 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1002/JPS.2600840120

Internet software for the calculation of the lipophilicity and aqueous solubility of chemical compounds.

2 references

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI000393L

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

Assessment of n-octanol/water partition coefficient: when is the assessment reliable?

2 references

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI960028N

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/CI010368V

7 December 2024

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

Structurally diverse quantitative structure--property relationship correlations of technologically relevant physical properties

2 references

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI9903206

Neural network studies. 1. Comparison of overfitting and overtraining

2 references

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

7 December 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI00027A006

Robust Regression and Outlier Detection

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

An extended version of a novel method for the estimation of partition coefficients.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

Construction of confidence intervals for neural networks based on least squares estimation

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

Neural Networks and the Bias/Variance Dilemma

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

Prediction of partition coefficient based on atom-type electrotopological state indices

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

An electrotopological-state index for atoms in molecules

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

Reliable assessment of logP of compounds of pharmaceutical relevance

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

Efficient Partition of Learning Data Sets for Neural Network Training.

1 reference

7 December 2024

https://opencitations.net/index/api/v1/references/10.1021/CI010368V

Identifiers

DOI

10.1021/CI010368V

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11604042%20AND%20SRC:MED&resulttype=core&format=json

12 November 2019

DBLP publication ID

journals/jcisd/TetkoTV01

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference