2003 |
11 | EE | Ana Gallegos Saliner,
Lluís Amat,
Ramon Carbó-Dorca,
T. Wayne Schultz,
Mark T. D. Cronin:
Molecular Quantum Similarity Analysis of Estrogenic Activity.
Journal of Chemical Information and Computer Sciences 43(4): 1166-1176 (2003) |
2002 |
10 | EE | Xavier Gironés,
Lluís Amat,
Ramon Carbó-Dorca:
Modeling Large Macromolecular Structures Using Promolecular Densities.
Journal of Chemical Information and Computer Sciences 42(4): 847-852 (2002) |
2001 |
9 | EE | Lluís Amat,
Emili Besalú,
Ramon Carbó-Dorca,
Robert Ponec:
Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures.
Journal of Chemical Information and Computer Sciences 41(4): 978-991 (2001) |
2000 |
8 | EE | Lluís Amat,
Ramon Carbó-Dorca:
Molecular Electronic Density Fitting Using Elementary Jacobi Rotations under Atomic Shell Approximation.
Journal of Chemical Information and Computer Sciences 40(5): 1188-1198 (2000) |
7 | EE | Xavier Gironés,
Lluís Amat,
David Robert,
Ramon Carbó-Dorca:
Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies.
Journal of Computer-Aided Molecular Design 14(5): 477-485 (2000) |
1999 |
6 | EE | David Robert,
Lluís Amat,
Ramon Carbó-Dorca:
Three-Dimensional Quantitative Structure-Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family.
Journal of Chemical Information and Computer Sciences 39(2): 333-344 (1999) |
5 | EE | 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.
Journal of Computational Chemistry 20(9): 911-920 (1999) |
4 | EE | Robert Ponec,
Lluís Amat,
Ramon Carbó-Dorca:
Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach.
Journal of Computer-Aided Molecular Design 13(3): 259-270 (1999) |
1998 |
3 | EE | Lluís Amat,
David Robert,
Emili Besalú,
Ramon Carbó-Dorca:
Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study.
Journal of Chemical Information and Computer Sciences 38(4): 624-631 (1998) |
2 | EE | Lluís Amat,
Ramon Carbó-Dorca,
Robert Ponec:
Molecular quantum similarity measures as an alternative to log P values in QSAR studies.
Journal of Computational Chemistry 19(14): 1575-1583 (1998) |
1997 |
1 | EE | Pere Constans,
Lluís Amat,
Ramon Carbó-Dorca:
Toward a global maximization of the molecular similarity function: Superposition of two molecules.
Journal of Computational Chemistry 18(6): 826-846 (1997) |