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In vitro cytotoxicity and structure-activity relationship approaches of ent-kaurenoic acid derivatives against human breast carcinoma cell line

Ricardo Marques da Costa, Jairo Kenupp Bastos, Maria Cristina Andreazza Costa, Márcia M. C. Ferreira, Cássia S. Mizuno, Giovanni F. Caramori, Gláucio R. Nagurniak, Marília R. Simão, Raquel Alves dos Santos, Rodrigo Cássio Sola Veneziani,

Phytochemistry · 2018 · 28 citations · 44 references

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44

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.5K citations

, , +11

Beware of q2!

Alexander Golbraikh, Alexander Tropsha · Journal of Molecular Graphics and Modelling · 2002 · 3.7K citations

The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses

Svante Wold, Axel Ruhe, Herman Wold et al. · SIAM Journal on Scientific and Statistical Computing · 1984 · 2.5K citations

, , +12

The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

Alexander Tropsha, Paola Gramatica, Vijay K. Gombar · QSAR & Combinatorial Science · 2003 · 2.2K citations

, , +16