Combinatorial Preferences Affect Molecular Similarity/Diversity Calculations Using Binary Fingerprints and Tanimoto Coefficients

2000 ◽  
Vol 40 (1) ◽  
pp. 163-166 ◽  
Author(s):  
Jeffrey W. Godden ◽  
Ling Xue ◽  
Jürgen Bajorath
Keyword(s):  
Molecular Similarity ◽  
Combinatorial Preferences ◽  
Binary Fingerprints

Study of Local Reactivity of Isatoic Anhydride Applying Quantum Molecular Similarity

2021 ◽  
Vol 6 (17) ◽  
pp. 4390-4399
Author(s):  
Tomás Guerrero ◽  
Sergio F. Juárez‐Cerrillo ◽  
Myrna H. Matus ◽  
José Sergio Durand‐Niconoff
Keyword(s):  
Molecular Similarity ◽  
Isatoic Anhydride ◽  
Local Reactivity ◽  
Quantum Molecular Similarity

Conformational behaviour and molecular similarity of some ?1-adrenergic ligands

1992 ◽  
Vol 6 (4) ◽  
pp. 315-330 ◽  
Author(s):  
Piercarlo Fantucci ◽  
Elena Mattioli ◽  
Anna Maria Villa ◽  
Luigi Villa
Keyword(s):  
Molecular Similarity

ChemInform Abstract: Molecular Similarity for Small Species: Refining the Isoelectronic Index.

ChemInform ◽  
2010 ◽  
Vol 32 (34) ◽  
pp. no-no
Author(s):  
Ray Hefferlin ◽  
Myla Thomas Matus
Keyword(s):  
Molecular Similarity ◽  
Small Species

Investigation of the molecular similarity in closely related protein systems: The PrP case study

2015 ◽  
Vol 83 (10) ◽  
pp. 1751-1765 ◽  
Author(s):  
Loriano Storchi ◽  
Roberto Paciotti ◽  
Nazzareno Re ◽  
Alessandro Marrone
Keyword(s):  
Molecular Similarity ◽  
Related Protein

Assessing molecular similarity/diversity of chemical structures by FT-IR spectroscopy

2001 ◽  
Vol 24 (4) ◽  
pp. 613-627 ◽  
Author(s):  
V. Schoonjans ◽  
F. Questier ◽  
Q. Guo ◽  
Y. Van der Heyden ◽  
D.L. Massart
Keyword(s):  
Ir Spectroscopy ◽  
Molecular Similarity ◽  
Chemical Structures ◽  
Ft Ir ◽  
Ft Ir Spectroscopy
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