| Data completeness—the Achilles heel of drug-target networks J Mestres, E Gregori-Puigjane, S Valverde, RV Sole Nature biotechnology 26 (9), 983-984, 2008 | 302 | 2008 |
| The topology of drug–target interaction networks: implicit dependence on drug properties and target families J Mestres, E Gregori-Puigjané, S Valverde, RV Solé Molecular BioSystems 5 (9), 1051-1057, 2009 | 237 | 2009 |
| Identifying mechanism-of-action targets for drugs and probes E Gregori-Puigjané, V Setola, J Hert, BA Crews, JJ Irwin, E Lounkine, ... Proceedings of the National Academy of Sciences 109 (28), 11178-11183, 2012 | 205 | 2012 |
| SHED: Shannon entropy descriptors from topological feature distributions E Gregori-Puigjané, J Mestres Journal of chemical information and modeling 46 (4), 1615-1622, 2006 | 120 | 2006 |
| A ligand-based approach to mining the chemogenomic space of drugs E Gregori-Puigjané, J Mestres Combinatorial chemistry & high throughput screening 11 (8), 669-676, 2008 | 119 | 2008 |
| Ligand-based approach to in silico pharmacology: nuclear receptor profiling J Mestres, L Martín-Couce, E Gregori-Puigjané, M Cases, S Boyer Journal of chemical information and modeling 46 (6), 2725-2736, 2006 | 100 | 2006 |
| Conciliating binding efficiency and polypharmacology J Mestres, E Gregori-Puigjané Trends in pharmacological sciences 30 (9), 470-474, 2009 | 74 | 2009 |
| Public domain HTS fingerprints: design and evaluation of compound bioactivity profiles from PubChem’s bioassay repository KY Helal, M Maciejewski, E Gregori-Puigjane, M Glick, AM Wassermann Journal of chemical information and modeling 56 (2), 390-398, 2016 | 60 | 2016 |
| Docking and linking of fragments to discover jumonji histone demethylase inhibitors M Korczynska, DD Le, N Younger, E Gregori-Puigjané, A Tumber, ... Journal of medicinal chemistry 59 (4), 1580-1598, 2016 | 57 | 2016 |
| A chemical screen identifies class a g-protein coupled receptors as regulators of cilia P Avasthi, A Marley, H Lin, E Gregori-Puigjane, BK Shoichet, ... ACS chemical biology 7 (5), 911-919, 2012 | 46 | 2012 |
| New chromene scaffolds for adenosine A2A receptors: Synthesis, pharmacology and structure–activity relationships F Areias, M Costa, M Castro, J Brea, E Gregori-Puigjané, MF Proença, ... European journal of medicinal chemistry 54, 303-310, 2012 | 43 | 2012 |
| Coverage and bias in chemical library design E Gregori-Puigjané, J Mestres Current opinion in chemical biology 12 (3), 359-365, 2008 | 43 | 2008 |
| In silico directed chemical probing of the adenosine receptor family FM Areias, J Brea, E Gregori-Puigjané, MEA Zaki, MA Carvalho, ... Bioorganic & medicinal chemistry 18 (9), 3043-3052, 2010 | 36 | 2010 |
| Identification of Small Molecule Inhibitors of Amyloid β-Induced Neuronal Apoptosis Acting through the Imidazoline I2 Receptor M Montolio, E Gregori-Puigjane, D Pineda, J Mestres, P Navarro Journal of Medicinal Chemistry 55 (22), 9838-9846, 2012 | 16 | 2012 |
| Indexing molecules with chemical graph identifiers E Gregori‐Puigjané, R Garriga‐Sust, J Mestres Journal of Computational Chemistry 32 (12), 2638-2646, 2011 | 16 | 2011 |
| Designing chemical libraries directed to nuclear receptors E Gregori‐Puigjané, J Mestres Nuclear Receptors as Drug Targets, 469-488, 2008 | 2 | 2008 |
| Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project A Furuhama, A Kitazawa, J Yao, CE Matos Dos Santos, J Rathman, ... SAR and QSAR in Environmental Research 34 (12), 983-1001, 2023 | 1 | 2023 |
| Chemoinformatic approaches to target identification E Gregori-Puigjané, MJ Keiser | 1 | 2012 |
| Identifying Targets for Drugs and Probes with Unknown Mechanisms of Action E Gregori-Puigjané, V Setola, J Hert, J Evans, BC Crews, E Lounkine, ... PNAS 109 (28), 11178-11183, 2012 | 1 | 2012 |
| A new Ligand-Based approach to virtual screening, and prolifing or large chemical libraries E Gregori Puigjané Universitat Pompeu Fabra, 2008 | 1 | 2008 |
Brian ShoichetProfessor of Pharmaceutical Chemistry, University of California, San FranciscoEmail verificata su cgl.ucsf.edu
