The comparative study of micellar TLC and RP-TLC as potential tools for lipophilicity assessment based on QSRR approach

Ward’s Hierarchical Agglomerative Clustering Method: Which Algorithms Implement Ward’s Criterion?

Fionn Murtagh, Pierre Legendre · Journal of Classification · 2014 · 3.8K citations · Full text

Computing, Computer Science, Algorithms +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

Pharmacy, Medicinal Chemistry, Drug Design +16

Ward's Hierarchical Clustering Method: Clustering Criterion and Agglomerative Algorithm

Fionn Murtagh, Pierre Legendre · arXiv (Cornell University) · 2011 · 1.3K citations · Full text

Public Health, Data Science, Data Mining +8

Quantitative structure—chromatographic retention relationships

Roman Kaliszan · European Journal of Medicinal Chemistry · 1988 · 646 citations · Full text

Pharmacy, Chemistry, Pharmaceutical Analysis +10

Chromatographic behaviour and chemical structure I. Some naturally occuring phenolic substances

E.C. Bate-Smith, R. G. Westall · Biochimica et Biophysica Acta · 1950 · 603 citations

Natural Sciences, Biochemistry, Chemistry +16