| Application of topological descriptors in QSAR and drug design: history and new trends R Gozalbes, JP Doucet, F Derouin Current Drug Targets-Infectious Disorders 2 (1), 93-102, 2002 | 220 | 2002 |
| Small molecule inhibition of ERK dimerization prevents tumorigenesis by RAS-ERK pathway oncogenes A Herrero, A Pinto, P Colón-Bolea, B Casar, M Jones, L Agudo-Ibáñez, ... Cancer cell 28 (2), 170-182, 2015 | 145 | 2015 |
| Design, synthesis and activity against Toxoplasma gondii, Plasmodium spp., and Mycobacterium tuberculosis of new 6-fluoroquinolones G Anquetin, J Greiner, N Mahmoudi, M Santillana-Hayat, R Gozalbes, ... European journal of medicinal chemistry 41 (12), 1478-1493, 2006 | 91 | 2006 |
| Anti-Toxoplasma Activities of 24 Quinolones and Fluoroquinolones In Vitro: Prediction of Activity by Molecular Topology and Virtual Computational Techniques R Gozalbes, M Brun-Pascaud, R Garcia-Domenech, J Galvez, PM Girard, ... Antimicrobial Agents and Chemotherapy 44 (10), 2771-2776, 2000 | 80 | 2000 |
| Molecular Search of New Active Drugs Against Toxoplasma Gondii R Gozalbes, J Galvez, R Garcia-Domenech, F Derouin SAR and QSAR in Environmental Research 10 (1), 47-60, 1999 | 65 | 1999 |
| QSAR-based permeability model for drug-like compounds R Gozalbes, M Jacewicz, R Annand, K Tsaioun, A Pineda-Lucena Bioorganic & medicinal chemistry 19 (8), 2615-2624, 2011 | 60 | 2011 |
| G-protein-coupled receptor affinity prediction based on the use of a profiling dataset: QSAR design, synthesis, and experimental validation C Rolland, R Gozalbes, E Nicolaï, MF Paugam, L Coussy, F Barbosa, ... Journal of medicinal chemistry 48 (21), 6563-6574, 2005 | 58 | 2005 |
| Development and experimental validation of a docking strategy for the generation of kinase-targeted libraries R Gozalbes, L Simon, N Froloff, E Sartori, C Monteils, R Baudelle Journal of medicinal chemistry 51 (11), 3124-3132, 2008 | 57 | 2008 |
| Synthesis of new fluoroquinolones and evaluation of their in vitro activity on Toxoplasma gondii and Plasmodium spp G Anquetin, M Rouquayrol, N Mahmoudi, M Santillana-Hayat, R Gozalbes, ... Bioorganic & medicinal chemistry letters 14 (11), 2773-2776, 2004 | 55 | 2004 |
| QSAR modeling of in vitro inhibition of cytochrome P450 3A4 B Mao, R Gozalbes, F Barbosa, J Migeon, S Merrick, K Kamm, E Wong, ... Journal of chemical information and modeling 46 (5), 2125-2134, 2006 | 46 | 2006 |
| QSAR-based solubility model for drug-like compounds R Gozalbes, A Pineda-Lucena Bioorganic & medicinal chemistry 18 (19), 7078-7084, 2010 | 45 | 2010 |
| Prediction of Quinolone Activity against Mycobacterium avium by Molecular Topology and Virtual Computational Screening R Gozalbes, M Brun-Pascaud, R García-Domenech, J Gálvez, PM Girard, ... Antimicrobial agents and chemotherapy 44 (10), 2764-2770, 2000 | 43 | 2000 |
| Safer chemicals using less animals: kick-off of the European ONTOX project M Vinken, E Benfenati, F Busquet, J Castell, DA Clevert, TM de Kok, ... Toxicology 458, 152846, 2021 | 42 | 2021 |
| Contributions of computational chemistry and biophysical techniques to fragment-based drug discovery R Gozalbes, R J Carbajo, A Pineda-Lucena Current medicinal chemistry 17 (17), 1769-1794, 2010 | 41 | 2010 |
| Discovery of new antimalarial compounds by use of molecular connectivity techniques R Gozalbes, J Gálvez, A Moreno, R García‐Domenech Journal of pharmacy and pharmacology 51 (2), 111-117, 1999 | 35 | 1999 |
| Applications of chemoinformatics in predictive toxicology for regulatory purposes, especially in the context of the EU REACH legislation R Gozalbes, JV de Julián-Ortiz International Journal of Quantitative Structure-Property Relationships …, 2018 | 31 | 2018 |
| Hit identification of novel heparanase inhibitors by structure-and ligand-based approaches R Gozalbes, S Mosulén, L Ortí, J Rodríguez-Díaz, RJ Carbajo, P Melnyk, ... Bioorganic & medicinal chemistry 21 (7), 1944-1951, 2013 | 31 | 2013 |
| Small molecule databases and chemical descriptors useful in chemoinformatics: an overview R Gozalbes, A Pineda-Lucena Combinatorial chemistry & high throughput screening 14 (6), 548-558, 2011 | 30 | 2011 |
| Use of molecular topology for the prediction of physico-chemical, pharmacokinetic and toxicological properties of a group of antihistaminic drugs MJ Duart, GM Antón-Fos, JV de Julian-Ortiz, R Gozalbes, J Gálvez, ... International journal of pharmaceutics 246 (1-2), 111-119, 2002 | 29 | 2002 |
| Application de la topologie moléculaire à la prédiction de la viscosité liquide des composés organiques R Garcia-Domenech, A Villanueva, J Gálvez, R Gozalbes Journal de Chimie Physique et de Physico-Chimie Biologique 96 (7), 1172-1185, 1999 | 23 | 1999 |
