Some new trends in chemical graph theory R García-Domenech, J Gálvez, JV de Julián-Ortiz, L Pogliani Chemical Reviews 108 (3), 1127-1169, 2008 | 361 | 2008 |
Topological approach to drug design J Galvez, R Garcia-Domenech, JV de Julian-Ortiz, R Soler Journal of chemical information and computer sciences 35 (2), 272-284, 1995 | 255 | 1995 |
Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds JV de Julián-Ortiz, J Gálvez, C Muñoz-Collado, R García-Domenech, ... Journal of Medicinal Chemistry 42 (17), 3308-3314, 1999 | 162 | 1999 |
Identification of new antimalarial drugs by linear discriminant analysis and topological virtual screening N Mahmoudi, JV de Julian-Ortiz, L Ciceron, J Galvez, D Mazier, M Danis, ... Journal of Antimicrobial Chemotherapy 57 (3), 489-497, 2006 | 141 | 2006 |
Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach E Estrada, A Peña, R García-Domenech Journal of computer-aided molecular design 12, 583-595, 1998 | 134 | 1998 |
Pharmacological distribution diagrams: a tool for de novo drug design J Gálvez, R García-Domenech, C de Gregorio Alapont, JV de Julián-Ortiz, ... Journal of Molecular Graphics 14 (5), 272-276, 1996 | 133 | 1996 |
Estimation of ADME properties in drug discovery: predicting Caco-2 cell permeability using atom-based stochastic and non-stochastic linear indices JA Castillo-Garit, Y Marrero-Ponce, F Torrens, R García-Domenech Journal of pharmaceutical sciences 97 (5), 1946-1976, 2008 | 108 | 2008 |
New agents active against Mycobacterium avium complex selected by molecular topology: a virtual screening method Á García-García, J Gálvez, JV de Julián-Ortiz, R García-Domenech, ... Journal of Antimicrobial Chemotherapy 53 (1), 65-73, 2004 | 98 | 2004 |
Antimicrobial activity characterization in a heterogeneous group of compounds R García-Domenech, JV Julián-Ortiz Journal of chemical information and computer sciences 38 (3), 445-449, 1998 | 96 | 1998 |
New Active Drugs against Liver Stages of Plasmodium Predicted by Molecular Topology N Mahmoudi, R Garcia-Domenech, J Galvez, K Farhati, JF Franetich, ... Antimicrobial Agents and Chemotherapy 52 (4), 1215-1220, 2008 | 89 | 2008 |
Prediction of indices of refraction and glass transition temperatures of linear polymers by using graph theoretical indices R García-Domenech, JV de Julián-Ortiz The Journal of Physical Chemistry B 106 (6), 1501-1507, 2002 | 86 | 2002 |
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 | 81 | 2000 |
Topological approach to analgesia J Galvez, R Garcia-Domenech, V De Julian-Ortiz, R Soler Journal of Chemical Information and Computer Sciences 34 (5), 1198-1203, 1994 | 77 | 1994 |
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 |
New bronchodilators selected by molecular topology I Rios-Santamarina, R Garcia-Domenech, J Gálvez, J Cortijo, ... Bioorganic & medicinal chemistry letters 8 (5), 477-482, 1998 | 63 | 1998 |
Search of chemical scaffolds for novel antituberculosis agents A García-García, J Gálvez, JV de Julián-Ortiz, R García-Domenech, ... SLAS Discovery 10 (3), 206-214, 2005 | 59 | 2005 |
Study of the action of flavonoids on xanthine-oxidase by molecular topology AM Ponce, SE Blanco, AS Molina, R García-Domenech, J Gálvez Journal of Chemical Information and Computer Sciences 40 (4), 1039-1045, 2000 | 57 | 2000 |
Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype Y Marrero-Ponce, D Siverio-Mota, M Gálvez-Llompart, MC Recio, ... European journal of medicinal chemistry 46 (12), 5736-5753, 2011 | 54 | 2011 |
Latest advances in molecular topology applications for drug discovery R Zanni, M Galvez-Llompart, R Garcia-Domenech, J Galvez Expert opinion on drug discovery 10 (9), 945-957, 2015 | 53 | 2015 |
Topological virtual screening: a way to find new compounds active in ulcerative colitis by inhibiting NF-κB M Gálvez-Llompart, MC Recio, R García-Domenech Molecular diversity 15, 917-926, 2011 | 53 | 2011 |