Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd)

1994 ◽  
Vol 34 (5) ◽  
pp. 1047-1053 ◽  
Author(s):  
Miquel Sola ◽  
Jordi Mestres ◽  
Miquel Duran ◽  
Ramon Carbo
Keyword(s):  
Carbonic Anhydrase ◽  
Ab Initio ◽  
Molecular Similarity ◽  
Similarity Measures ◽  
Quantum Molecular Similarity

Classification of reaction pathways via momentum–space and quantum molecular similarity measures

2003 ◽  
Vol 367 (1-2) ◽  
pp. 207-213 ◽  
Author(s):  
Lluı&#x;s Amat ◽  
Ramon Carbó-Dorca ◽  
David L. Cooper ◽  
Neil L. Allan
Keyword(s):  
Momentum Space ◽  
Molecular Similarity ◽  
Similarity Measures ◽  
Reaction Pathways ◽  
Quantum Molecular Similarity

On quantum molecular similarity measures (QMSM) and indices (QMSI)

1996 ◽  
Vol 19 (1) ◽  
pp. 47-56 ◽  
Author(s):  
R. Carb� ◽  
E. Besal� ◽  
Ll. Amat ◽  
X. Fradera
Keyword(s):  
Molecular Similarity ◽  
Similarity Measures ◽  
Quantum Molecular Similarity
Sign in / Sign up

Export Citation Format

Share Document