Novel molecular descriptor for structure—property studies

Structural Determination of Paraffin Boiling Points

Harry Wiener · Journal of the American Chemical Society · 1947 · 4.1K citations

Natural Sciences, Chemistry, Analytical Chemistry +7

Characterization of molecular branching

Milan Randić · Journal of the American Chemical Society · 1975 · 3.6K citations

Natural Sciences, Chemistry, Analytical Chemistry +5

Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons

Haruo Hosoya · Bulletin of the Chemical Society of Japan · 1971 · 1.3K citations

Natural Sciences, Chemistry, Mathematics +12

Molecular modeling of the physical properties of alkanes

Diane E. Needham, I-Chien Wei, Paul G. Seybold · Journal of the American Chemical Society · 1988 · 329 citations

Natural Sciences, Chemistry, Physics +13

Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research

Alan R. Katritzky, Ekaterina V. Gordeeva · Journal of Chemical Information and Computer Sciences · 1993 · 276 citations

Pharmacy, Chemistry, Medicinal Chemistry +17