| Quinoxaline, its derivatives and applications: A State of the Art review JA Pereira, AM Pessoa, MNDS Cordeiro, R Fernandes, C Prudêncio, ... European Journal of Medicinal Chemistry 97, 664-672, 2015 | 433 | 2015 |
| Phenolic acid derivatives with potential anticancer properties––a structure–activity relationship study. Part 1: Methyl, propyl and octyl esters of caffeic and gallic acids SM Fiuza, C Gomes, LJ Teixeira, MTG Da Cruz, M Cordeiro, N Milhazes, ... Bioorganic & medicinal chemistry 12 (13), 3581-3589, 2004 | 384 | 2004 |
| Applications of 2D descriptors in drug design: a DRAGON tale AM Helguera, RD Combes, MP Gonzalez, M Cordeiro Current topics in medicinal chemistry 8 (18), 1628-1655, 2008 | 215 | 2008 |
| Molecularly imprinted polymer-based electrochemical sensors for environmental analysis P Rebelo, E Costa-Rama, I Seguro, JG Pacheco, HPA Nouws, ... Biosensors and Bioelectronics 172, 112719, 2021 | 194 | 2021 |
| Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde? M Cruz-Monteagudo, JL Medina-Franco, Y Pérez-Castillo, O Nicolotti, ... Drug Discovery Today 19 (8), 1069-1080, 2014 | 189 | 2014 |
| Computer-aided nanotoxicology: assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach F Luan, VV Kleandrova, H González-Díaz, JM Ruso, A Melo, ... Nanoscale 6 (18), 10623-10630, 2014 | 162 | 2014 |
| Computational tool for risk assessment of nanomaterials: Novel QSTR-perturbation model for simultaneous prediction of ecotoxicity and cytotoxicity of uncoated and coated … VV Kleandrova, F Luan, H Gonzalez-Diaz, JM Ruso, A Speck-Planche, ... Environmental science & technology 48 (24), 14686-14694, 2014 | 157 | 2014 |
| Computational ecotoxicology: Simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions VV Kleandrova, F Luan, H González-Díaz, JM Ruso, A Melo, ... Environment international 73, 288-294, 2014 | 134 | 2014 |
| Intrinsic structure and dynamics of the water/nitrobenzene interface M Jorge, MNDS Cordeiro The Journal of Physical Chemistry C 111 (47), 17612-17626, 2007 | 133 | 2007 |
| Probing the environmental toxicity of deep eutectic solvents and their components: An in silico modeling approach AK Halder, MNDS Cordeiro ACS Sustainable Chemistry & Engineering 7 (12), 10649-10660, 2019 | 130 | 2019 |
| Density functional theory study of the water dissociation on platinum surfaces: general trends JLC Fajin, MN DS Cordeiro, JRB Gomes The Journal of Physical Chemistry A 118 (31), 5832-5840, 2014 | 130 | 2014 |
| Rational drug design for anti-cancer chemotherapy: multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents A Speck-Planche, VV Kleandrova, F Luan, MNDS Cordeiro Bioorganic & medicinal chemistry 20 (15), 4848-4855, 2012 | 126 | 2012 |
| Long-term follow-up of breast capsule contracture rates in cosmetic and reconstructive cases M Marques, SA Brown, I Oliveira, MNDS Cordeiro, A Morales-Helguera, ... Plastic and reconstructive surgery 126 (3), 769-778, 2010 | 119 | 2010 |
| β-Nitrostyrene derivatives as potential antibacterial agents: A structure–property–activity relationship study N Milhazes, R Calheiros, MPM Marques, J Garrido, MNDS Cordeiro, ... Bioorganic & medicinal chemistry 14 (12), 4078-4088, 2006 | 115 | 2006 |
| Influence of step sites in the molecular mechanism of the water gas shift reaction catalyzed by copper JLC Fajín, MNDS Cordeiro, F Illas, JRB Gomes Journal of Catalysis 268 (1), 131-141, 2009 | 114 | 2009 |
| A critical assessment of methods for the intrinsic analysis of liquid interfaces. 1. Surface site distributions M Jorge, P Jedlovszky, MNDS Cordeiro The Journal of Physical Chemistry C 114 (25), 11169-11179, 2010 | 113 | 2010 |
| Descriptors controlling the catalytic activity of metallic surfaces toward water splitting JLC Fajín, MNDS Cordeiro, F Illas, JRB Gomes Journal of Catalysis 276 (1), 92-100, 2010 | 105 | 2010 |
| Probing the toxicity of nanoparticles: a unified in silico machine learning model based on perturbation theory R Concu, VV Kleandrova, A Speck-Planche, MNDS Cordeiro Nanotoxicology 11 (7), 891-906, 2017 | 104 | 2017 |
| Chemoinformatics in anti-cancer chemotherapy: Multi-target QSAR model for the in silico discovery of anti-breast cancer agents A Speck-Planche, VV Kleandrova, F Luan, MNDS Cordeiro European Journal of Pharmaceutical Sciences 47 (1), 273-279, 2012 | 103 | 2012 |
| Evaluation of the lipophilic properties of opioids, amphetamine-like drugs, and metabolites through electrochemical studies at the interface between two immiscible solutions R Gulaboski, MNDS Cordeiro, N Milhazes, J Garrido, F Borges, M Jorge, ... Analytical biochemistry 361 (2), 236-243, 2007 | 97 | 2007 |
