Carbó-Dorca R - Search Results

1

Molecular quantum similarity and the fundamentals of QSAR.

Besalú E, Gironés X, Amat L, Carbó-Dorca R. Besalú E, et al. Acc Chem Res. 2002 May;35(5):289-95. doi: 10.1021/ar010048x. Acc Chem Res. 2002. PMID: 12020166 Review.

2

Using molecular quantum similarity measures under stochastic transformation to describe physical properties of molecular systems.

Gironés X, Carbó-Dorca R. Gironés X, et al. J Chem Inf Comput Sci. 2002 Mar-Apr;42(2):317-25. doi: 10.1021/ci0103370. J Chem Inf Comput Sci. 2002. PMID: 11911701

3

Modeling large macromolecular structures using promolecular densities.

Gironés X, Amat L, Carbó-Dorca R. Gironés X, et al. J Chem Inf Comput Sci. 2002 Jul-Aug;42(4):847-52. doi: 10.1021/ci010348t. J Chem Inf Comput Sci. 2002. PMID: 12132885

4

Molecular quantum similarity-based QSARs for binding affinities of several steroid sets.

Gironés X, Carbó-Dorca R. Gironés X, et al. J Chem Inf Comput Sci. 2002 Sep-Oct;42(5):1185-93. doi: 10.1021/ci0202842. J Chem Inf Comput Sci. 2002. PMID: 12377008

5

Molecular quantum similarity analysis of estrogenic activity.

Gallegos Saliner A, Amat L, Carbó-Dorca R, Schultz TW, Cronin MT. Gallegos Saliner A, et al. J Chem Inf Comput Sci. 2003 Jul-Aug;43(4):1166-76. doi: 10.1021/ci034014a. J Chem Inf Comput Sci. 2003. PMID: 12870908

6

Molecular basis of LFER. Modeling of the electronic substituent effect using fragment quantum self-similarity measures.

Gironés X, Carbó-Dorca R, Ponec R. Gironés X, et al. J Chem Inf Comput Sci. 2003 Nov-Dec;43(6):2033-8. doi: 10.1021/ci020050i. J Chem Inf Comput Sci. 2003. PMID: 14632455

7

Molecular quantum similarity measures tuned 3D QSAR: an antitumoral family validation study.

Amat L, Robert D, Besalú E, Carbó-Dorca R. Amat L, et al. J Chem Inf Comput Sci. 1998 Jul-Aug;38(4):624-31. doi: 10.1021/ci9800108. J Chem Inf Comput Sci. 1998. PMID: 9722423

8

Three-dimensional quantitative structure-activity relationships from tuned molecular quantum similarity measures: prediction of the corticosteroid-binding globulin binding affinity for a steroid family.

Robert D, Amat L, Carbó-Dorca R. Robert D, et al. J Chem Inf Comput Sci. 1999 Mar-Apr;39(2):333-44. doi: 10.1021/ci980410v. J Chem Inf Comput Sci. 1999. PMID: 10192946

9

Facet diagrams for quantum similarity data.

Robert D, Gironés X, Carbó-Dorca R. Robert D, et al. J Comput Aided Mol Des. 1999 Nov;13(6):597-610. doi: 10.1023/a:1008039618288. J Comput Aided Mol Des. 1999. PMID: 10584218

10

Using molecular quantum similarity measures as descriptors in quantitative structure-toxicity relationships.

Gironés X, Amat L, Carbó-Dorca R. Gironés X, et al. SAR QSAR Environ Res. 1999 Dec;10(6):545-56. doi: 10.1080/10629369908033223. SAR QSAR Environ Res. 1999. PMID: 10674292

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