Current Mathematical Methods Used in QSAR/QSPR Studies

  title={Current Mathematical Methods Used in QSAR/QSPR Studies},
  author={Peixun Liu and Wei Long},
  journal={International Journal of Molecular Sciences},
  pages={1978 - 1998}
This paper gives an overview of the mathematical methods currently used in quantitative structure-activity/property relationship (QASR/QSPR) studies. Recently, the mathematical methods applied to the regression of QASR/QSPR models are developing very fast, and new methods, such as Gene Expression Programming (GEP), Project Pursuit Regression (PPR) and Local Lazy Regression (LLR) have appeared on the QASR/QSPR stage. At the same time, the earlier methods, including Multiple Linear Regression… CONTINUE READING
Highly Cited
This paper has 75 citations. REVIEW CITATIONS
Related Discussions
This paper has been referenced on Twitter 1 time. VIEW TWEETS

From This Paper

Topics from this paper.


Publications citing this paper.
Showing 1-10 of 34 extracted citations

75 Citations

Citations per Year
Semantic Scholar estimates that this publication has 75 citations based on the available data.

See our FAQ for additional information.


Publications referenced by this paper.
Showing 1-10 of 118 references

The Support Vector Method

View 4 Excerpts
Highly Influenced

Systems under Indirect Observation: Causality, structure, prediction; North-Holland: Amsterdam

H. Jores-Kong, H. Word
The Netherlands, • 1982
View 4 Excerpts
Highly Influenced

Research Papers in Statistics

H. Word
View 4 Excerpts
Highly Influenced

Estimation of aniline point temperature of pure hydrocarbons: A quantitative structure-property relationship approach

F. Gharagheizi, B. Tirandazi, R. Barzin
Ind. Eng. Chem. Res • 2009
View 2 Excerpts

Prediction of Photolysis of PCDD/Fs Adsorbed to Spruce [Picea abies (L.) Karst.] Needle Surfaces Under Sunlight Irradiation Based on Projection Pursuit Regression

Y. N. Yuan, R. S. Zhang, R. J. Hu
QSAR Comb. Sci • 2009
View 1 Excerpt

Quantitative structure - activity relationship analysis of some thiourea derivatives with activities against HIV-1 (IIIB)

Z. G. Li, K. X. Chen, H. Y. Xie, J. R. Gao
QSAR Comb. Sci. 2009, • 2009
View 2 Excerpts