Lluís Amat

发表

Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures.

R. Carbó-Dorca, E. Besalú, Lluís Amat, 2001 .

Quantum molecular similarity measures (QMSM) and the atomic shell approximation (ASA)

R. Carbó-Dorca, Lluís Amat, X. Fradera, 1996 .

Toward a global maximization of the molecular similarity function: Superposition of two molecules

Ramon Carbó-Dorca, Lluís Amat, R. Carbó-Dorca, 1997 .

Estimation of infinite dilution activity coefficients of organic compounds in water with neural classifiers

R. Carbó-Dorca, Y. Cohen, Lluís Amat, 2004 .

Quantum chemistry, Sobolev spaces and SCF

R. Carbó-Dorca, E. Besalú, Lluís Amat, 2000 .

Quantum objects, density functions and molecular quantum similarity measures

R. Carbó-Dorca, E. Besalú, Lluís Amat, 2000 .

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

D. L. Cooper, R. Carbó-Dorca, Lluís Amat, 2003 .

Quantum molecular similarity measures

R. Carbó-Dorca, E. Besalú, Lluís Amat, 1996 .

Ramon Carbó-Dorca, Lluís Amat, R. Carbó-Dorca, 1997 .

Use of promolecular ASA density functions as a general algorithm to obtain starting MO in SCF calculations

R. Carbó-Dorca, Lluís Amat, 2002 .

Quantum Molecular Similarity: Theory and Applications to the Evaluation of Molecular Properties, Biological Activities and Toxicity

R. Carbó-Dorca, E. Besalú, Lluís Amat, 2001 .

Application of Quantum Similarity to QSAR

R. Carbó-Dorca, E. Besalú, Lluís Amat, 2000 .

Quantum mechanical origin of QSAR: theory and applications

Emili Besalú, David Robert, Ramon Carbó-Dorca, 2000 .

Molecular Electronic Density Fitting Using Elementary Jacobi Rotations under Atomic Shell Approximation

Ramon Carbó-Dorca, Lluís Amat, R. Carbó-Dorca, 2000, J. Chem. Inf. Comput. Sci..

Analysis of the changes on the potential energy surface of Menshutkin reactions induced by external perturbations

Emili Besalú, Xavier Fradera, Miquel Solà, 1996 .

Toward a global maximization of the molecular similarity function: Superposition of two molecules

Ramon Carbó-Dorca, Pere Constans, Lluís Amat, 1997, J. Comput. Chem..

Molecular Quantum Similarity Analysis of Estrogenic Activity

T. Wayne Schultz, Mark T. D. Cronin, Ramon Carbó-Dorca, 2003, J. Chem. Inf. Comput. Sci..

Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study

Emili Besalú, Ramon Carbó-Dorca, Lluís Amat, 1998, J. Chem. Inf. Comput. Sci..

R. Carbó-Dorca, E. Besalú, Lluís Amat, 2000 .

Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies

David Robert, Ramon Carbó-Dorca, Lluís Amat, 2000, J. Comput. Aided Mol. Des..

Full molecular quantum similarity matrices as QSAR descriptors

R. Carbó-Dorca, E. Besalú, Lluís Amat, 2000 .

Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures

Emili Besalú, Ramon Carbó-Dorca, Robert Ponec, 2001, J. Chem. Inf. Comput. Sci..

Modeling Large Macromolecular Structures Using Promolecular Densities

Ramon Carbó-Dorca, Lluís Amat, Xavier Gironés, 2002, J. Chem. Inf. Comput. Sci..

Structure—property relationships and momentum space quantities: Hammett σ—constants

D. L. Cooper, R. Carbó-Dorca, Lluís Amat, 2003 .

Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach

Ramon Carbó-Dorca, Robert Ponec, Lluís Amat, 1999, J. Comput. Aided Mol. Des..

Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)

Emili Besalú, Xavier Fradera, Ramon Carbó, 1995 .

Molecular Quantum Similarity in Qsar and Drug Design

Emili Besalú, David Robert, Ramon Carbó-Dorca, 2000 .

Ramon Carbó-Dorca, Robert Ponec, Lluís Amat, 1999 .

Three-Dimensional Quantitative Structure-Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family

David Robert, Ramon Carbó-Dorca, Lluís Amat, 1999, J. Chem. Inf. Comput. Sci..

Molecular quantum similarity measures as an alternative to log P values in QSAR studies

Ramon Carbó-Dorca, Robert Ponec, Lluís Amat, 1998, J. Comput. Chem..

Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study.

R. Carbó-Dorca, E. Besalú, Lluís Amat, 1998 .

Structure‐Activity Relationships of a Steroid Family using Quantum Similarity Measures and Topological Quantum Similarity Indices

Emili Besalú, Ramon Carbó-Dorca, Lluís Amat, 1997 .

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

Emili Besalú, Xavier Fradera, Ramon Carbó, 1996 .

APPLICATION OF MOLECULAR QUANTUM SIMILARITY TO QSAR

Emili Besalú, Xavier Fradera, Ramon Carbó-Dorca, 1997 .

Electron-electron repulsion energy as a QSAR descriptor

R. Carbó-Dorca, E. Besalú, Lluís Amat, 2000 .

Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis‐diamminedichloroplatinum(II) complex as an application example

Ramon Carbó-Dorca, Lluís Amat, R. Carbó-Dorca, 1999 .

Modeling Large Macromolecular Structures Using Promolecular Densities

R. Carbó-Dorca, Lluís Amat, X. Gironés, 2002, J. Chem. Inf. Comput. Sci..

ARTMAP Neural Network Based Quantitative Structural Property Relation (QSPR) for Prediction of Henrys Laws of Organic Compounds"/" A Fuzzy ARTMAP-Based Quantitative Structure Property Relationship (QSPR) for the Henrys Law Constant of Organic

Y. Cohen, Lluís Amat, J. Ferré-Giné, 2011 .