Lluís Amat

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2003 J jnl
Molecular Quantum Similarity Analysis of Estrogenic Activity.
J. Chem. Inf. Comput. Sci.
Ana Gallegos Saliner, Lluís Amat, Ramon Carbó-Dorca, T. Wayne Schultz, Mark T. D. Cronin
2002 J jnl
Modeling Large Macromolecular Structures Using Promolecular Densities.
J. Chem. Inf. Comput. Sci.
Xavier Gironés, Lluís Amat, Ramon Carbó-Dorca
2001 J jnl
Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures.
J. Chem. Inf. Comput. Sci.
Lluís Amat, Emili Besalú, Ramon Carbó-Dorca, Robert Ponec
2000 J jnl
Molecular Electronic Density Fitting Using Elementary Jacobi Rotations under Atomic Shell Approximation.
J. Chem. Inf. Comput. Sci.
Lluís Amat, Ramon Carbó-Dorca
2000 J jnl
Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies.
J. Comput. Aided Mol. Des.
Xavier Gironés, Lluís Amat, David Robert, Ramon Carbó-Dorca
1999 J jnl
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.
Lluís Amat, Ramon Carbó-Dorca
1999 J jnl
Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach.
J. Comput. Aided Mol. Des.
Robert Ponec, Lluís Amat, Ramon Carbó-Dorca
1999 J jnl
Three-Dimensional Quantitative Structure-Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family.
J. Chem. Inf. Comput. Sci.
David Robert, Lluís Amat, Ramon Carbó-Dorca
1998 J jnl
Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study.
J. Chem. Inf. Comput. Sci.
Lluís Amat, David Robert, Emili Besalú, Ramon Carbó-Dorca
1998 J jnl
Molecular quantum similarity measures as an alternative to log P values in QSAR studies.
J. Comput. Chem.
Lluís Amat, Ramon Carbó-Dorca, Robert Ponec
1997 J jnl
Toward a global maximization of the molecular similarity function: Superposition of two molecules.
J. Comput. Chem.
Pere Constans, Lluís Amat, Ramon Carbó-Dorca