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Results: 161

Lluís Amat, Ramon Carbó-Dorca
Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis‐diamminedichloroplatinum(II) complex as an application example
J. Comput. Chem., 1999, 20, 911-920
DOI: 10.1002/(SICI)1096-987X(19990715)20:9<911::AID-JCC2>3.0.CO;2-O
Keywords: Molecular similarity

Lluís Amat, Ramon Carbó-Dorca, Robert Ponec
Simple Linear QSAR Models Based on Quantum Similarity Measures
J. Med. Chem., 1999, 42, 5169-5180
DOI: 10.1021/jm9910728
Keywords: Molecular similarity

Robert Ponec, Lluís Amat, Ramon Carbó-Dorca
Quantum similarity approach to LFER: substituent and solvent effects on the acidities of carboxylic acids
J. Phys. Org. chem., 1999, 12, 447-454
DOI: 10.1002/(SICI)1099-1395(199906)12:6<447::AID-POC143>3.0.CO;2-7
Keywords: Molecular similarity

X. Gironés, L. Amat, R. Carbó-Dorca
Using Molecular Quantum Similarity Measures as Descriptors in Quantitative Structure-Toxicity Relationships
SAR and QSAR in Environmental Research, 1999, 10, 545-556
DOI: 10.1080/10629369908033223

Keywords: Molecular similarity

David Robert, Ramon Carbó-Dorca
A Formal Comparison between Molecular Quantum Similarity Measures and Indices
J. Chem. Inf. Comput. Sci., 1998, 38, 469-475
DOI: 10.1021/ci970105u
Keywords: Molecular similarity

David Robert, Ramon Carbó-Dorca
Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model
J. Chem. Inf. Comput. Sci., 1998, 38, 620-623
DOI: 10.1021/ci970121r
Keywords: Molecular similarity

Lluís Amat, Ramon Carbó-Dorca, Robert Ponec
Molecular quantum similarity measures as an alternative to log P values in QSAR studies
J. Comput. Chem., 1998, 19, 1575-1583
DOI: 10.1002/(SICI)1096-987X(19981115)19:14<1575::AID-JCC3>3.0.CO;2-G
Keywords: Molecular similarity

David Robert, Ramon Carbó-Dorca
On the extension of quantum similarity to atomic nuclei: Nuclear quantum similarity
J. Math. Chem., 1998, 23, 327-351
DOI: 10.1023/A:1019177426169
Keywords: Molecular similarity

Ramon Carbó-Dorca
Tagged sets, convex sets and quantum similarity measures
J. Math. Chem., 1998, 23, 353-364
DOI: 10.1023/A:1019185627987
Keywords: Molecular similarity

Ramon Carbó-Dorca
On the statistical interpretation of density functions: Atomic shell approximation, convex sets, discrete quantum chemical molecular representations, diagonal vector spaces and related problems
J. Math. Chem., 1998, 23, 365-375
DOI: 10.1023/A:1019189728895
Keywords: Molecular similarity