DOI: 10.1021/js980266s. Prediction of partition coefficient based on atom‐type electrotopological state indices

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

10.1021/js980266s

Crossref journal-article

American Geophysical Union (AGU)

Journal of Pharmaceutical Sciences (13)

Bibliography

Huuskonen, J. J., Villa, A. E. P., & Tetko, I. V. (1999). Prediction of partition coefficient based on atomâtype electrotopological state indices. Journal of Pharmaceutical Sciences, 88(2), 229â233.

Authors 3

Jarmo J. Huuskonen (first)
Alessandro E.P. Villa (additional)
Igor V. Tetko (additional)

References 20 Referenced 53

{'key': '10.1021/js980266s_bb0010', 'series-title': 'Substituent Constants for Correlation Analysis in Chemistry and Biology', 'author': 'Hansch', 'year': '1979'} / Substituent Constants for Correlation Analysis in Chemistry and Biology by Hansch (1979)
{'key': '10.1021/js980266s_bb0015', 'series-title': 'Hydrophobic Fragment Constant', 'author': 'Rekker', 'year': '1977'} / Hydrophobic Fragment Constant by Rekker (1977)
10.1021/jm00243a001 / J. Med. Chem. / Correlation of Hydrophobic Constant (log P) from π and ×a6 Constants by Leo (1975)
10.1021/ci960169p / J. Chem. Inf. Comput. Sci. / New Atom‐Additive Method for Calculating Partition Coefficients by Wang (1997)
10.1002/jps.2600840120 / J. Pharm. Sci. / Atom/Fragment Contribution Method for Estimating Octanol‐Water Partition Coefficients by Meylan (1995)
10.1021/ci00020a009 / J. Chem. Inf. Comput. Sci. / Computer Automated log P Calculations Based on an Extended Group Contribution Approach by Klopman (1994)
10.1023/A:1015952613760 / Pharm. Res. / An Electrotopological‐State Index for Atoms in Molecules by Kier (1990)
10.1021/ci00028a014 / J. Chem. Inf. Comput. Sci. / Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological and Valence State Information by Hall (1995)
10.1021/ci960375x / J. Chem. Inf. Comput. Sci. / Boiling Point and Critical Temperature of a Heterogeneous Data Set: QSAR with Atom Type Electrotopological State Indices Using Artificial Neural Networks by Hall (1996)
10.1021/js960358m / J. Pharm. Sci. / Neural Network Modeling for Estimation of the Aqueous Solubility of Structurally Related Drugs by Huuskonen (1997)
10.1021/ci970100x / J. Chem. Inf. Comput. Sci. / Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling by Huuskonen (1998)
{'key': '10.1021/js980266s_bb0065', 'series-title': 'Exploring QSAR: Hydrophobic, Electronic, and Steric Constants', 'author': 'Hansch', 'year': '1995'} / Exploring QSAR: Hydrophobic, Electronic, and Steric Constants by Hansch (1995)
10.1248/cpb.42.976 / Chem. Pharm. Bull. / Comparison of Reliability of log P Values for Drugs Calculated by Several Methods by Moriguchi (1994)
10.1021/ci00027a006 / J. Chem. Inf. Comput. Sci. / Neural Network Studies. 1. Comparison of Overfitting and Overtraining by Tetko (1995)
10.1016/S0893-6080(97)00005-1 / Neural Networks / Efficient Partition of Learning Data Sets for Neural Network Training by Tetko (1997)
10.1021/ci00009a013 / J. Chem. Inf. Comput. Sci. / Estimation of Aqueous Solubility of Organic Molecules by the Group Contribution Approach. Application to the Study of Biode‐gradiation by Klopman (1992)
10.1021/ci960028n / J. Chem. Inf. Comput. Sci. / Assessment of N‐Octanol/Water Partition Coefficient: When is the Assessment Reliable by Gombar (1996)
10.1023/A:1012188625088 / Pharm. Res. / Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Human by Palm (1997)
10.1039/a604687h / J. Chem. Soc., Perkin Trans. 2 / Prediction of Water‐Octanol Partition Coefficients Using Theoretical Descriptors Derived from the Molecular Surface Area and the Electrostatic Potential by Haeberlin (1997)
10.1021/jp9638503 / J. Phys. Chem. / Molecular Size Bazed Approach to Estimate Partition Properties for Organic Solutes by Bodor (1997)

Dates

Type	When
Created	23 years ago (Aug. 25, 2002, 5:40 a.m.)
Deposited	4 years, 1 month ago (July 21, 2021, 6:51 a.m.)
Indexed	3 weeks, 4 days ago (Aug. 2, 2025, 12:32 a.m.)
Issued	26 years, 6 months ago (Feb. 1, 1999)
Published	26 years, 6 months ago (Feb. 1, 1999)
Published Print	26 years, 6 months ago (Feb. 1, 1999)

Funders 0

None

BibTeX

@article{Huuskonen_1999, title={Prediction of partition coefficient based on atom‐type electrotopological state indices}, volume={88}, ISSN={0022-3549}, url={http://dx.doi.org/10.1021/js980266s}, DOI={10.1021/js980266s}, number={2}, journal={Journal of Pharmaceutical Sciences}, publisher={American Geophysical Union (AGU)}, author={Huuskonen, Jarmo J. and Villa, Alessandro E.P. and Tetko, Igor V.}, year={1999}, month=feb, pages={229–233} }

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