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Alejandro Speck-Planche, Ph.D.
Alejandro Speck-Planche, Ph.D.
In Silico Molecular Design
Dirección de correo verificada de insilicomoleculardesign.com - Página principal
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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
1522014
Computational tool for risk assessment of nanomaterials: Novel QSTR-perturbation model for simultaneous prediction of ecotoxicity and cytotoxicity of uncoated and coated …
A Speck-Planche, VV Kleandrova, F Luan, H Gonzalez-Diaz, JM Ruso, ...
Environmental science & technology 48 (24), 14686-14694, 2014
1502014
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
1312014
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, M Cordeiro
Bioorganic & Medicinal Chemistry 20 (15), 4848-4855, 2012
1192012
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, M Cordeiro
European Journal of Pharmaceutical Sciences 47 (1), 273-279, 2012
992012
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
962017
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, M Cordeiro
Bioorganic & Medicinal Chemistry 19 (21), 6239-6244, 2011
852011
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 DS Cordeiro
ACS Combinatorial Science 18 (8), 490-498, 2016
842016
Predicting multiple ecotoxicological profiles in agrochemical fungicides: A multi-species chemoinformatic approach
A Speck-Planche, VV Kleandrova, F Luan, M Cordeiro
Ecotoxicology and Environmental Safety 80, 308-313, 2012
752012
Current pharmaceutical design of antituberculosis drugs: future perspectives
A Speck-Planche, M Tulius Scotti, V de Paulo-Emerenciano
Current Pharmaceutical Design 16 (24), 2656-2665, 2010
712010
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 12 (6), 678-685, 2012
692012
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, M Cordeiro
European Journal of Pharmaceutical Sciences 48 (4-5), 812–818, 2013
672013
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
662012
Artificial Intelligence, Big data and Machine Learning Approaches in Precision Medicine & Drug Discovery
A Nayarisseri, R Khandelwal, P Tanwar, M Madhavi, D Sharma, G Thakur, ...
Current Drug targets 22 (6), 631-655, 2021
642021
Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins
A Speck-Planche, M Cordeiro
Molecular Diversity 21 (3), 511-523, 2017
622017
Speeding up early drug discovery in antiviral research: A fragment-based in silico approach for the design of virtual anti-hepatitis C leads
A Speck-Planche, MN Dias Soeiro Cordeiro
ACS Combinatorial Science 19 (8), 501-512, 2017
612017
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, MNDS Cordeiro
Nanomedicine 10 (2), 193-204, 2015
612015
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
612012
Simultaneous virtual prediction of anti-Escherichia coli activities and ADMET profiles: A chemoinformatic complementary approach for high throughput screening
A Speck-Planche, M Cordeiro
ACS Combinatorial Science 16 (2), 78–84, 2014
602014
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
592013
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