Concepedia

Artificial neural network-based transformation for nonlinear partial least-square regression with application to QSAR studies

Y ZHOU, Jing Jiang, Wei‐Chou Lin, Li Xu, Hai‐Long Wu, Guangyu Shen, R YU

Talanta · 2006 · 25 citations · 15 references

DOI

Concepts

References

15

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

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Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological, and Valence State Information

Lowell H. Hall, Lemont B. Kier · Journal of Chemical Information and Computer Sciences · 1995 · 773 citations

, , +12

Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies

David T. Stanton, Peter C. Jurs · Analytical Chemistry · 1990 · 649 citations

, , +10

Nonlinear PLS modeling using neural networks

S. Joe Qin, Thomas J. McAvoy · Computers & Chemical Engineering · 1992 · 448 citations

, , +5

The electrotopological state: structure information at the atomic level for molecular graphs

Lowell H. Hall, Brian K. Mohney, Lemont B. Kier · Journal of Chemical Information and Computer Sciences · 1991 · 317 citations

, , +11