| BDDCS applied to over 900 drugs LZ Benet, F Broccatelli, TI Oprea The AAPS journal 13, 519-547, 2011 | 738 | 2011 |
| A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields F Broccatelli, E Carosati, A Neri, M Frosini, L Goracci, TI Oprea, ... Journal of medicinal chemistry 54 (6), 1740-1751, 2011 | 187 | 2011 |
| 1, 4-Dihydropyridine scaffold in medicinal chemistry, the story so far and perspectives (part 2): action in other targets and antitargets E Carosati, P Ioan, M Micucci, F Broccatelli, G Cruciani, BS Zhorov, ... Current medicinal chemistry 19 (25), 4306-4323, 2012 | 162 | 2012 |
| In Silico Absorption, Distribution, Metabolism, Excretion, and Pharmacokinetics (ADME-PK): Utility and Best Practices. An Industry Perspective from the International … F Lombardo, PV Desai, R Arimoto, KE Desino, H Fischer, CE Keefer, ... Journal of Medicinal Chemistry 60 (22), 9097-9113, 2017 | 139 | 2017 |
| 1, 4-Dihydropyridine scaffold in medicinal chemistry, the story so far and perspectives (part 1): action in ion channels and GPCRs P Ioan, E Carosati, M Micucci, G Cruciani, F Broccatelli, B S Zhorov, ... Current medicinal chemistry 18 (32), 4901-4922, 2011 | 120 | 2011 |
| BDDCS class prediction for new molecular entities F Broccatelli, G Cruciani, LZ Benet, TI Oprea Molecular pharmaceutics 9 (3), 570-580, 2012 | 99 | 2012 |
| Improving the prediction of the brain disposition for orally administered drugs using BDDCS F Broccatelli, CA Larregieu, G Cruciani, TI Oprea, LZ Benet Advanced drug delivery reviews 64 (1), 95-109, 2012 | 77 | 2012 |
| Selective PROTAC-mediated degradation of SMARCA2 is efficacious in SMARCA4 mutant cancers J Cantley, X Ye, E Rousseau, T Januario, BD Hamman, CM Rose, ... Nature Communications 13 (1), 6814, 2022 | 75 | 2022 |
| QSAR models for P-glycoprotein transport based on a highly consistent data set F Broccatelli Journal of chemical information and modeling 52 (9), 2462-2470, 2012 | 50 | 2012 |
| QSAR modeling and data mining link Torsades de Pointes risk to the interplay of extent of metabolism, active transport, and HERG liability F Broccatelli, R Mannhold, A Moriconi, S Giuli, E Carosati Molecular pharmaceutics 9 (8), 2290-2301, 2012 | 46 | 2012 |
| Best of both worlds: on the complementarity of ligand-based and structure-based virtual screening F Broccatelli, N Brown Journal of Chemical Information and Modeling 54 (6), 1634-1641, 2014 | 45 | 2014 |
| Transporter‐mediated efflux influences CNS side effects: ABCB1, from antitarget to target F Broccatelli, E Carosati, G Cruciani, TI Oprea Molecular informatics 29 (1‐2), 16-26, 2010 | 45 | 2010 |
| Predicting passive permeability of drug-like molecules from chemical structure: where are we? F Broccatelli, L Salphati, E Plise, J Cheong, A Gobbi, ML Lee, I Aliagas Molecular Pharmaceutics 13 (12), 4199-4208, 2016 | 43 | 2016 |
| Why decreasing lipophilicity alone is often not a reliable strategy for extending IV half-life F Broccatelli, I Aliagas, H Zheng ACS Medicinal Chemistry Letters 9 (6), 522-527, 2018 | 41 | 2018 |
| Comparing mechanistic and preclinical predictions of volume of distribution on a large set of drugs R Chan, T De Bruyn, M Wright, F Broccatelli Pharmaceutical research 35, 1-11, 2018 | 39 | 2018 |
| Predicting when biliary excretion of parent drug is a major route of elimination in humans CM Hosey, F Broccatelli, LZ Benet The AAPS journal 16, 1085-1096, 2014 | 38 | 2014 |
| Evaluating the utility of canine Mdr1 knockout Madin-Darby canine kidney I cells in permeability screening and efflux substrate determination EC Chen, F Broccatelli, E Plise, B Chen, L Liu, J Cheong, S Zhang, ... Molecular Pharmaceutics 15 (11), 5103-5113, 2018 | 37 | 2018 |
| Introduction of a Methyl Group Curbs Metabolism of Pyrido [3, 4-d] pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate … HL Woodward, P Innocenti, KMJ Cheung, A Hayes, J Roberts, AT Henley, ... Journal of Medicinal Chemistry 61 (18), 8226-8240, 2018 | 33 | 2018 |
| Computational analysis of kinase inhibitor selectivity using structural knowledge YC Lo, T Liu, KM Morrissey, S Kakiuchi-Kiyota, AR Johnson, F Broccatelli, ... Bioinformatics 35 (2), 235-242, 2019 | 29 | 2019 |
| Application of empirical scalars to enable early prediction of human hepatic clearance using in vitro-in vivo extrapolation in drug discovery: an evaluation of 173 drugs RS Jones, C Leung, JH Chang, S Brown, N Liu, Z Yan, JR Kenny, ... Drug Metabolism and Disposition 50 (8), 1053-1063, 2022 | 27 | 2022 |
Tudor OpreaCEO, Expert Systems IncVerified email at expertsystems.inc
