| 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 | 152 | 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 | 150 | 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 | 131 | 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 | 120 | 2012 |
| 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 | 100 | 2012 |
| 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 | 97 | 2017 |
| Multi-target drug discovery in anti-cancer therapy: fragment-based approach toward the design of potent and versatile anti-prostate cancer agents A Speck-Planche, VV Kleandrova, F Luan, MNDS Cordeiro Bioorganic & medicinal chemistry 19 (21), 6239-6244, 2011 | 85 | 2011 |
| Enabling the discovery and virtual screening of potent and safe antimicrobial peptides. Simultaneous prediction of antibacterial activity and cytotoxicity VV Kleandrova, JM Ruso, A Speck-Planche, MN Dias Soeiro Cordeiro ACS combinatorial science 18 (8), 490-498, 2016 | 84 | 2016 |
| Predicting multiple ecotoxicological profiles in agrochemical fungicides: a multi-species chemoinformatic approach A Speck-Planche, VV Kleandrova, F Luan, MNDS Cordeiro Ecotoxicology and environmental safety 80, 308-313, 2012 | 78 | 2012 |
| Chemoinformatics in multi-target drug discovery for anti-cancer therapy: in silico design of potent and versatile anti-brain tumor agents A Speck-Planche, V V Kleandrova, F Luan, NDS Cordeiro Anti-Cancer Agents in Medicinal Chemistry (Formerly Current Medicinal …, 2012 | 70 | 2012 |
| New insights toward the discovery of antibacterial agents: multi-tasking QSBER model for the simultaneous prediction of anti-tuberculosis activity and toxicological profiles of … A Speck-Planche, VV Kleandrova, MNDS Cordeiro European Journal of Pharmaceutical Sciences 48 (4-5), 812-818, 2013 | 68 | 2013 |
| In silico discovery and virtual screening of multi-target inhibitors for proteins in Mycobacterium tuberculosis A Speck-Planche, V V Kleandrova, F Luan, NDS Cordeiro Combinatorial chemistry & high throughput screening 15 (8), 666-673, 2012 | 67 | 2012 |
| Fragment-based approach for the in silico discovery of multi-target insecticides A Speck-Planche, VV Kleandrova, MT Scotti Chemometrics and Intelligent Laboratory Systems 111 (1), 39-45, 2012 | 62 | 2012 |
| Computational modeling in nanomedicine: Prediction of multiple antibacterial profiles of nanoparticles using a quantitative structure–activity relationship perturbation model A Speck-Planche, VV Kleandrova, F Luan, MN DS Cordeiro Nanomedicine 10 (2), 193-204, 2015 | 61 | 2015 |
| Chemoinformatics for rational discovery of safe antibacterial drugs: simultaneous predictions of biological activity against streptococci and toxicological profiles in … A Speck-Planche, VV Kleandrova, M Cordeiro Bioorganic & medicinal chemistry 21 (10), 2727-2732, 2013 | 59 | 2013 |
| Fragment-based QSAR model toward the selection of versatile anti-sarcoma leads A Speck-Planche, VV Kleandrova, F Luan, MNDS Cordeiro European journal of medicinal chemistry 46 (12), 5910-5916, 2011 | 58 | 2011 |
| Multi-target inhibitors for proteins associated with Alzheimer: in silico discovery using fragment-based descriptors A Speck-Planche, V V Kleandrova, F Luan, NDS Cordeiro Current Alzheimer Research 10 (2), 117-124, 2013 | 56 | 2013 |
| First multitarget chemo-bioinformatic model to enable the discovery of antibacterial peptides against multiple Gram-positive pathogens A Speck-Planche, VV Kleandrova, JM Ruso, MN DS Cordeiro Journal of chemical information and modeling 56 (3), 588-598, 2016 | 55 | 2016 |
| Unified multi-target approach for the rational in silico design of anti-bladder cancer agents A Speck-Planche, VV Kleandrova, F Luan, MN Cordeiro Anticancer Agents Med Chem 13 (5), 791-800, 2013 | 54 | 2013 |
| A ligand-based approach for the in silico discovery of multi-target inhibitors for proteins associated with HIV infection A Speck-Planche, VV Kleandrova, F Luan, MNDS Cordeiro Molecular BioSystems 8 (8), 2188-2196, 2012 | 54 | 2012 |
