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Hire Dr. Alejandro S.
Netherlands
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Expert in Machine Learning, Cheminformatics & Molecular Design: Drug Discovery, Nanomaterials, Toxicology & Pesticides
Profile Summary
Subject Matter Expertise
Services
Writing
Technical Writing,
Creative Writing,
General Proofreading & Editing,
Translation
Research
Fact Checking,
Scientific and Technical Research,
Systematic Literature Review
Consulting
Scientific and Technical Consulting
Data & AI
Predictive Modeling,
Statistical Analysis,
Data Mining,
Data Cleaning,
Data Processing,
Data Insights
Product Development
Concept Development
Work Experience
Visiting Researcher
University of Porto, Portugal
February 2023 - Present
Education
PhD in Chemistry (LAQV@REQUIMTE/Department of Chemistry and Biochemistry)
University of Porto
January 2012 - December 2015 
MSc. in Science and Technology of Colloids and Interfaces (Department of Applied Physics)
University of Santiago de Compostela
August 2013 - July 2014
Bachelor of Sciences in Chemistry (BSc. Chemistry) (Department of Chemistry)
University of Oriente
September 2000 - July 2005
Certifications
Publications
JOURNAL ARTICLE
Alejandro Speck-Planche, M. Natália D. S. Cordeiro (2025). Computational Phenotypic Drug Discovery for Anticancer Chemotherapy: PTML Modeling of Multi-Cell Inhibitors of Colorectal Cancer Cell Lines . International Journal of Molecular Sciences.
Alejandro Speck-Planche, M. Natália D. S. Cordeiro (2025). Computational Phenotypic Drug Discovery for Anticancer Chemotherapy: PTML Modeling of Multi-Cell Inhibitors of Colorectal Cancer Cell Lines . International Journal of Molecular Sciences.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2025). In Silico Approach for Early Antimalarial Drug Discovery: De Novo Design of Virtual Multi-Strain Antiplasmodial Inhibitors . Microorganisms.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natalia D.S. Cordeiro (2025). Ligand-Based Approach for Multi-Target Drug Discovery: PTML Modeling of Triple-Target Inhibitors . Current Topics in Medicinal Chemistry.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2025). In Silico Approach for Early Antimalarial Drug Discovery: De Novo Design of Virtual Multi-Strain Antiplasmodial Inhibitors . Microorganisms.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2025). Perturbation-Theory Machine Learning for Multi-Target Drug Discovery in Modern Anticancer Research . Current Issues in Molecular Biology.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2025). Perturbation-Theory Machine Learning for Multi-Target Drug Discovery in Modern Anticancer Research . Current Issues in Molecular Biology.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2025). Perturbation-Theory Machine Learning for Multi-Objective Antibacterial Discovery: Current Status and Future Perspectives . Applied Sciences.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2025). Perturbation-theory machine learning for mood disorders: virtual design of dual inhibitors of NET and SERT proteins . BMC Chemistry.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2025). In Silico Approach for Antibacterial Discovery: PTML Modeling of Virtual Multi-Strain Inhibitors Against <i>Staphylococcus aureus</i> . Pharmaceuticals.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2025). Perturbation-Theory Machine Learning for Multi-Objective Antibacterial Discovery: Current Status and Future Perspectives . Applied Sciences.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2024). Perturbation Theory Machine Learning Model for Phenotypic Early Antineoplastic Drug Discovery: Design of Virtual Anti-Lung-Cancer Agents . Applied Sciences.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2024). Perturbation Theory Machine Learning Model for Phenotypic Early Antineoplastic Drug Discovery: Design of Virtual Anti-Lung-Cancer Agents . Applied Sciences.
Alejandro Speck-Planche, Valeria V. Kleandrova, M. Natália D. S. Cordeiro (2023). Optimizing drug discovery using multitasking models for quantitative structure–biological effect relationships: an update of the literature . Expert Opinion on Drug Discovery.
Alejandro Speck-Planche, Valeria V Kleandrova, Maria Natália DS Cordeiro (2023). Current In Silico Methods for Multi-Target Drug Discovery in Early Anticancer Research: The Rise of the Perturbation-Theory Machine Learning Approach . Future Medicinal Chemistry.
The latest guidance on the simultaneous design of virtually active and non-hemolytic peptides <head>
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PTML modeling for peptide discovery: in silico design of non-hemolytic peptides with antihypertensive activity <head>
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</head> . Molecular Diversity.
Alejandro Speck-Planche, Valeria V. Kleandrova (2022). Multi-Condition QSAR Model for the Virtual Design of Chemicals with Dual Pan-Antiviral and Anti-Cytokine Storm Profiles . ACS Omega.
Alejandro Speck-Planche, Valeria V. Kleandrova (2022). PTML Modeling for Pancreatic Cancer Research: In Silico Design of Simultaneous Multi-Protein and Multi-Cell Inhibitors . Biomedicines.
Alejandro Speck-Planche, Valeria V. Kleandrova, Marcus T. Scotti (2021). In Silico Drug Repurposing for Anti-Inflammatory Therapy: Virtual Search for Dual Inhibitors of Caspase-1 and TNF-Alpha . Biomolecules.
Alejandro Speck-Planche, Valeria V. Kleandrova, Marcus T. Scotti(2021). Computational Drug Repurposing for Antituberculosis Therapy: Discovery of Multi-Strain Inhibitors . Antibiotics. 10. (8). p. 1005. {MDPI} {AG}
(2021). Editorial: Cheminformatics Approaches in Drug Discovery for Neglected Tropical Diseases . Frontiers in chemistry.
(2021). QSAR Modeling for Multi-Target Drug Discovery: Designing Simultaneous Inhibitors of Proteins in Diverse Pathogenic Parasites . Frontiers in chemistry.
(2021). Artificial Intelligence, Big Data and Machine Learning Approaches in Precision Medicine & Drug Discovery . Current drug targets.
(2021). Multi-target Drug Discovery via PTML Modeling: Applications to the Design of Virtual Dual Inhibitors of CDK4 and HER2 . Current topics in medicinal chemistry.
Alejandro Speck-Planche, Valeria V Kleandrova (2021). The Urgent Need for pan-antiviral Agents: From Multitarget Discovery to Multiscale Design . Future Medicinal Chemistry.
V.V. Kleandrova, M.T. Scotti, L. Scotti, A. Nayarisseri, A. Speck-Planche(2020). Cell-based multi-target QSAR model for design of virtual versatile inhibitors of liver cancer cell lines . SAR and QSAR in Environmental Research. 31. (11). p. 815--836. Informa {UK} Limited
Alejandro Speck-Planche, Valeria V. Kleandrova(2020). The QSAR Paradigm in Fragment-Based Drug Discovery: From the Virtual Generation of Target Inhibitors to Multi-Scale Modeling . Mini-Reviews in Medicinal Chemistry. 20. (14). p. 1357--1374. Bentham Science Publishers Ltd.
Monteiro AFM, Scotti MT, Speck-Planche A, Barros RPC, Scotti L(2020). In Silico Studies for Bacterystic Evaluation against Staphylococcus aureus of 2-Naphthoic Acid Analogues . Current topics in medicinal chemistry.
Kleandrova VV, Speck-Planche A(2020). PTML Modeling for Alzheimer's Disease: Design and Prediction of Virtual Multi-Target Inhibitors of GSK3B, HDAC1, and HDAC6 . Current topics in medicinal chemistry.
Alejandro Speck-Planche, Marcus T. Scotti(2019). BET bromodomain inhibitors: fragment-based in silico design using multi-target QSAR models . Molecular Diversity. 23. (3). p. 555--572. Springer Science and Business Media {LLC}
Alejandro Speck-Planche(2019). Multicellular Target QSAR Model for Simultaneous Prediction and Design of Anti-Pancreatic Cancer Agents . ACS Omega. 4. (2). p. 3122--3132. American Chemical Society ({ACS})
Speck-Planche A(2019). Multi-Scale Modeling in Drug Discovery Against Infectious Diseases . Mini reviews in medicinal chemistry.
Speck-Planche A(2019). Multiple Perspectives in Anti-cancer Drug Discovery: From old Targets and Natural Products to Innovative Computational Approaches . Anti-cancer agents in medicinal chemistry.
Alejandro Speck-Planche(2018). Combining Ensemble Learning with a Fragment-Based Topological Approach To Generate New Molecular Diversity in Drug Discovery: In Silico Design of Hsp90 Inhibitors . ACS Omega. 3. (11). p. 14704--14716. American Chemical Society ({ACS})
Speck-Planche A(2018). Recent advances in fragment-based computational drug design: tackling simultaneous targets/biological effects . Future medicinal chemistry.
Alejandro Speck-Planche, M. Natália D. S. Cordeiro(2017). De novo computational design of compounds virtually displaying potent antibacterial activity and desirable in vitro ADMET profiles . Medicinal Chemistry Research. Springer Nature
Concu R, Kleandrova VV, Speck-Planche A, Cordeiro MNDS(2017). Probing the toxicity of nanoparticles: a unified in silico machine learning model based on perturbation theory . Nanotoxicology.
Alejandro Speck-Planche, M. Natália Dias Soeiro Cordeiro(2017). Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads . ACS Combinatorial Science. 19. (8). p. 501--512. American Chemical Society ({ACS})
Alejandro Speck-Planche, M. Natália D. S. Cordeiro(2017). Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins . Molecular Diversity. Springer Nature
Alejandro Speck-Planche, M. Natália D. S. Cordeiro(2017). Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins . Molecular Diversity. Springer Nature
(2017). De novo computational design of compounds virtually displaying potent antibacterial activity and desirable in vitro ADMET profiles . Medicinal Chemistry Research.
(2017). Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads . ACS Combinatorial Science.
(2017). Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins . Molecular Diversity.
(2017). Advanced in silico approaches for drug discovery: Mining information from multiple biological and chemical data through mtk-QSBER and pt-QSPR strategies . Current Medicinal Chemistry.
Kleandrova, V.V., Ruso, J.M., Speck-Planche, A., Dias Soeiro Cordeiro, M.N.(2016). Enabling the Discovery and Virtual Screening of Potent and Safe Antimicrobial Peptides. Simultaneous Prediction of Antibacterial Activity and Cytotoxicity . ACS Combinatorial Science. 18. (8). p. 490-498.
Speck-Planche, A., Kleandrova, V.V., Ruso, J.M., Cordeiro, M.N.D.S.(2016). First Multitarget Chemo-Bioinformatic Model to Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens . Journal of Chemical Information and Modeling. 56. (3). p. 588-598.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Ds Cordeiro, M.N.(2015). Computational modeling in nanomedicine: Prediction of multiple antibacterial profiles of nanoparticles using a quantitative structure-activity relationship perturbation model . Nanomedicine. 10. (2). p. 193-204.
Speck-Planche, A., Cordeiro, M.N.D.S.(2015). Computer-aided discovery in antimicrobial research: In silico model for virtual screening of potent and safe anti-pseudomonas agents . Combinatorial Chemistry and High Throughput Screening. 18. (3). p. 305-314.
Kleandrova, V.V., Luan, F., Speck-Planche, A., Cordeiro, M.N.D.S.(2015). In silico assessment of the acute toxicity of chemicals: Recent advances and new model for multitasking prediction of toxic effect . Mini-Reviews in Medicinal Chemistry. 15. (8). p. 677-686.
Speck-Planche, A., Cordeiro, M.N.D.S.(2015). Enabling virtual screening of potent and safer antimicrobial agents against noma: Mtk-QSBER model for simultaneous prediction of antibacterial activities and ADMET properties . Mini-Reviews in Medicinal Chemistry. 15. (3). p. 194-202.
Speck-Planche, A., Cordeiro, M.N.D.S.(2015). Multi-target QSAR approaches for modeling protein inhibitors. Simultaneous prediction of activities against biomacromolecules present in Gram-negative bacteria . Current Topics in Medicinal Chemistry. 15. (18). p. 1801-1813.
Speck-Planche, A., Cordeiro, M.N.D.S.(2015). Multi-target drug discovery in medicinal chemistry: Current status and future perspectives . Mini-Reviews in Medicinal Chemistry. 15. (8). p. 606-607.
Speck-Planche, A., Cordeiro, M.N.D.S.(2015). Multitasking models for quantitative structure-biological effect relationships: Current status and future perspectives to speed up drug discovery . Expert Opinion on Drug Discovery. 10. (3). p. 245-256.
Kleandrova, V.V., Luan, F., Speck-Planche, A., Cordeiro, M.N.D.S.(2015). Review of structures containing fullerene-C<inf>60</inf> for delivery of antibacterial agents. Multitasking model for computational assessment of safety profiles . Current Bioinformatics. 10. (5). p. 565-578.
Scotti, M.T., Speck-Planche, A., Tavares, J.F., Da Silva, M.S., Cordeiro, M.N.D.S., Scotti, L.(2015). Virtual screening of alkaloids from apocynaceae with potential antitrypanosomal activity . Current Bioinformatics. 10. (5). p. 509-519.
González-Díaz, H., Speck-Planche, A., Dias Soeiro Cordeiro, M.N.(2014). Chemoinformatics in metabolomics, modeling chemical reactivity and admet processes part 1 . Current Drug Metabolism. 15. (4).
Kleandrova, V.V., Luan, F., González-Díaz, H., Ruso, J.M., Melo, A., Speck-Planche, A., Cordeiro, M.N.D.S.(2014). Computational ecotoxicology: Simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions . Environment International. 73. p. 288-294.
Kleandrova, V.V., Luan, F., González-Díaz, H., Ruso, J.M., Speck-Planche, A., Cordeiro, M.N.D.S.(2014). Computational tool for risk assessment of nanomaterials: Novel QSTR-perturbation model for simultaneous prediction of ecotoxicity and cytotoxicity of uncoated and coated nanoparticles under multiple experimental conditions . Environmental Science and Technology. 48. (24). p. 14686-14694.
Luan, F., Kleandrova, V.V., González-Díaz, H., Ruso, J.M., Melo, A., Speck-Planche, A., Cordeiro, M.N.D.S.(2014). Computer-aided nanotoxicology: Assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach . Nanoscale. 6. (18). p. 10623-10630.
González-Díaz, H., Arrasate, S., Juan, A.G.-S., Sotomayor, N., Lete, E., Speck-Planche, A., Ruso, J.M., Luan, F., Cordeiro, M.N.D.S.(2014). Matrix trace operators: From spectral moments of molecular graphs and complex networks to perturbations in synthetic reactions, micelle nanoparticles, and drug ADME processes . Current Drug Metabolism. 15. (4). p. 470-488.
Speck-Planche, A., Cordeiro, M.N.D.S.(2014). Multi-tasking chemoinformatic model for the efficient discovery of potent and safer anti-bladder cancer agents . International Journal of Cancer Research and Prevention. 7. (2). p. 129-145.
Scotti, M.T., Cordeiro, M.N.D.S., Speck-Planche, A.(2014). Nosocomial infections: An increasing challenge to medicinal chemistry . Current Topics in Medicinal Chemistry. 14. (1). p. 2-3.
Multi-tasking chemoinformatic model for the efficient discovery of potent and safer anti-bladder cancer agents @article {
author = {Speck-Planche, A. and Cordeiro, M.N.D.S.},
title = {Multi-tasking chemoinformatic model for the efficient discovery of potent and safer anti-bladder cancer agents},
journal = {International Journal of Cancer Research and Prevention},
volume = {7},
number = {2},
pages = {129--145},
year = {2014},
url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84924073185&partnerID=MN8TOARS}
} . International Journal of Cancer Research and Prevention.
Tenorio-Borroto, E., Ramirez, F.R., Speck-Planche, A., Cordeiro, M.N.D.S., Luan, F., González-Díaz, H.(2014). QSPR and Flow Cytometry Analysis (QSPR-FCA): Review and New Findings on Parallel Study of Multiple Interactions of Chemical Compounds with Immune Cellular and Molecular Targets . Current Drug Metabolism. 15. (4). p. 414-428.
Speck-Planche, A., Cordeiro, M.N.D.S.(2014). Review of current chemoinformatic tools for modeling important aspects of cypsmediated drug metabolism. integrating metabolism data with other biological profiles to enhance drug discovery . Current Drug Metabolism. 15. (4). p. 429-440.
Speck-Planche, A., Cordeiro, M.N.D.S.(2014). Simultaneous virtual prediction of anti- escherichia coli activities and admet profiles: A chemoinformatic complementary approach for high-throughput screening . ACS Combinatorial Science. 16. (2). p. 78-84.
Speck-Planche, A., Cordeiro, M.N.D.S.(2014). Chemoinformatics for medicinal chemistry: In silico model to enable the discovery of potent and safer anti-cocci agents . Future Medicinal Chemistry. 6. (18). p. 2013-2028.
González-Díaz, H., Speck-Planche, A., Dias Soeiro Cordeiro, M.N.(2014). Chemoinformatics in metabolomics, from molecular mechanics, dynamics, and docking to complex metabolic networks, part 2 . Current Drug Metabolism. 15. (5).
MT Scotti, MS da Silva, IR Pitta, A Speck-Planche, L Scotti(2013). Fast virtual screening of sesquiterpene lactones from Asteraceae with potential antileishmanial activity . Planta Medica. 79. (13). Georg Thieme Verlag {KG}
Speck-Planche, A., Kleandrova, V.V., Scotti, M.T., Cordeiro, M.N.D.S.(2013). 3D-QSAR methodologies and molecular modeling in bioinformatics for the search of novel anti-HIV therapies: Rational design of entry inhibitors . Current Bioinformatics. 8. (4). p. 452-464.
Speck-Planche, A., Kleandrova, V.V., Cordeiro, M.N.D.S.(2013). Chemoinformatics for rational discovery of safe antibacterial drugs: Simultaneous predictions of biological activity against streptococci and toxicological profiles in laboratory animals . Bioorganic and Medicinal Chemistry. 21. (10). p. 2727-2732.
Scotti, M.T., Cordeiro, M.N.D.S., Speck-Planche, A.(2013). Current tendencies in antimicrobial research: Medicinal chemistry of antibacterial agents and advances in the use of computational methodologies . Current Topics in Medicinal Chemistry. 13. (24). p. 3011-3012.
Speck-Planche, A., Cordeiro, M.N.D.S.(2013). Evolution of graph theory-based QSAR methods and their applications to the search for new antibacterial agents . Current Topics in Medicinal Chemistry. 13. (24). p. 3101-3117.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Cordeiro, M.N.D.S.(2013). Multi-target inhibitors for proteins associated with Alzheimer: In silico discovery using fragment-based descriptors . Current Alzheimer Research. 10. (2). p. 117-124.
Speck-Planche, A., Kleandrova, V.V., Cordeiro, M.N.D.S.(2013). New insights toward the discovery of antibacterial agents: Multi-tasking QSBER model for the simultaneous prediction of anti-tuberculosis activity and toxicological profiles of drugs . European Journal of Pharmaceutical Sciences. 48. (4-5). p. 812-818.
Kleandrova, V.V., Speck-Planche, A.(2013). Regulatory issues in management of chemicals in OECD member countries . Frontiers in Bioscience - Elite. 5 E. (1). p. 375-398.
Speck-Planche, A., Cordeiro, M.N.D.S.(2013). Simultaneous modeling of antimycobacterial activities and ADMET profiles: A chemoinformatic approach to medicinal chemistry . Current Topics in Medicinal Chemistry. 13. (14). p. 1656-1665.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Cordeiro, M.N.D.S.(2013). Unified multi-target approach for the rational in silico design of anti-bladder cancer agents . Anti-Cancer Agents in Medicinal Chemistry. 13. (5). p. 791-800.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Cordeiro, M.N.D.S.(2012). A ligand-based approach for the in silico discovery of multi-target inhibitors for proteins associated with HIV infection . Molecular BioSystems. 8. (8). p. 2188-2196.
Speck-Planche, A., Luan, F., Cordeiro, M.(2012). Abelson tyrosine-protein kinase 1 as principal target for drug discovery against leukemias role of the current computer-aided drug design methodologies . Current Topics in Medicinal Chemistry. 12. (24). p. 2745-2762.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Cordeiro, M.N.D.S.(2012). Chemoinformatics in anti-cancer chemotherapy: Multi-target QSAR model for the in silico discovery of anti-breast cancer agents . European Journal of Pharmaceutical Sciences. 47. (1). p. 273-279.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Cordeiro, M.N.D.S.(2012). Chemoinformatics in multi-target drug discovery for anti-cancer therapy: In silico design of potent and versatile anti-brain tumor agents . Anti-Cancer Agents in Medicinal Chemistry. 12. (6). p. 678-685.
Speck-Planche, A., Cordeiro, M.N.D.S.(2012). Computer-aided drug design methodologies toward the design of anti-hepatitis C agents . Current Topics in Medicinal Chemistry. 12. (8). p. 802-813.
Cordeiro, M.N.D.S., Speck-Planche, A.(2012). Computer-aided drug design, synthesis and evaluation of new anti-cancer drugs . Current Topics in Medicinal Chemistry. 12. (24). p. 2703-2704.
Speck-Planche, A., Luan, F., Cordeiro, M.N.D.S.(2012). Discovery of Anti-Alzheimer agents: Current Ligand-Based approaches toward the design of acetylcholinesterase inhibitors . Mini-Reviews in Medicinal Chemistry. 12. (6). p. 583-591.
Speck-Planche, A., Kleandrova, V.V., Scotti, M.T.(2012). Fragment-based approach for the in silico discovery of multi-target insecticides . Chemometrics and Intelligent Laboratory Systems. 111. (1). p. 39-45.
Speck-Planche, A., Kleandrova, V.V.(2012). In silico design of multi-target inhibitors for C-C chemokine receptors using substructural descriptors . Molecular Diversity. 16. (1). p. 183-191.
Molina, E., Sobarzo-Sánchez, E., Speck-Planche, A., Matos, M.J., Uriarte, E., Santana, L., Yáñez, M., Orallo, F.(2012). Monoamino oxidase A: An interesting pharmacological target for the development of multi-target QSAR . Mini-Reviews in Medicinal Chemistry. 12. (10). p. 947-958.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Cordeiro, M.N.D.S.(2012). Predicting multiple ecotoxicological profiles in agrochemical fungicides: A multi-species chemoinformatic approach . Ecotoxicology and Environmental Safety. 80. p. 308-313.
Speck-Planche, A., Kleandrova, V.V.(2012). QSAR and molecular docking techniques for the discovery of potent monoamine oxidase B inhibitors: Computer-aided generation of new rasagiline bioisosteres . Current Topics in Medicinal Chemistry. 12. (16). p. 1734-1747.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Cordeiro, M.N.D.S.(2012). Rational drug design for anti-cancer chemotherapy: Multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents . Bioorganic and Medicinal Chemistry. 20. (15). p. 4848-4855.
Speck-Planche, A., Luan, F., Cordeiro, M.N.D.S.(2012). Role of Ligand-Based Drug Design methodologies toward the discovery of new anti-Alzheimer agents: Futures perspectives in fragment-based ligand design . Current Medicinal Chemistry. 19. (11). p. 1635-1645.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Cordeiro, M.N.D.S.(2012). Silico discovery and virtual screening of multi-target inhibitors for proteins in mycobacterium tuberculosis . Combinatorial Chemistry and High Throughput Screening. 15. (8). p. 666-673.
Speck-Planche, A., Cordeiro, M.N.D.S.(2011). Current drug design of anti-HIV agents through the inhibition of C-C chemokine receptor type 5 . Current Computer-Aided Drug Design. 7. (4). p. 238-248.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Cordeiro, M.N.D.S.(2011). Fragment-based QSAR model toward the selection of versatile anti-sarcoma leads . European Journal of Medicinal Chemistry. 46. (12). p. 5910-5916.
Speck-Planche, A., Kleandrova, V.V., Luan, F., Cordeiro, M.N.D.S.(2011). Multi-target drug discovery in anti-cancer therapy: Fragment-based approach toward the design of potent and versatile anti-prostate cancer agents . Bioorganic and Medicinal Chemistry. 19. (21). p. 6239-6244.
Speck-Planche, A., Kleandrova, V.V., Rojas-Vargas, J.A.(2011). QSAR model toward the rational design of new agrochemical fungicides with a defined resistance risk using substructural descriptors . Molecular Diversity. 15. (4). p. 901-909.
Speck-Planche, A., Guilarte-Montero, L., Yera-Bueno, R., Rojas-Vargas, J.A., García-López, A., Uriarte, E., Molina-Pérez, E.(2011). Rational design of new agrochemical fungicides using substructural descriptors . Pest Management Science. 67. (4). p. 438-445.
Speck-Planche, A., Cordeiro, M.N.D.S., Guilarte-Montero, L., Yera-Bueno, R.(2011). Current computational approaches towards the rational design of new insecticidal agents . Current Computer-Aided Drug Design. 7. (4). p. 304-314.
Speck-Planche, A., Cordeiro, M.N.D.S.(2011). Application of Bioinformatics for the search of novel anti-viral therapies: Rational design of anti-herpes agents . Current Bioinformatics. 6. (1). p. 81-93.
Speck-Planche, A., Scotti, M.T., de Paulo-Emerenciano, V.(2010). Current pharmaceutical design of antituberculosis drugs: Future perspectives . Current Pharmaceutical Design. 16. (24). p. 2656-2665.
Planche, A.S., Scotti, M.T., De Emerenciano, V.P., López, A.G., Pérez, E.M., Uriarte, E.(2010). Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach . Journal of Computational Chemistry. 31. (4). p. 882-894.
Planche, A.S., Scotti, M.T., López, A.G., De Paulo Emerenciano, V., Pérez, E.M., Uriarte, E.(2009). Design of novel antituberculosis compounds using graph-theoretical and substructural approaches . Molecular Diversity. 13. (4). p. 445-458.
BOOK CHAPTER
Alejandro Speck-Planche, Valeria V. Kleandrova (2020). Demystifying Artificial Neural Networks as Generators of New Chemical Knowledge: Antimalarial Drug Discovery as a Case Study .
Alejandro Speck-Planche(2020). Multi-scale QSAR Approach for Simultaneous Modeling of Ecotoxic Effects of Pesticides . Methods in Pharmacology and Toxicology. p. 639--660. Springer {US}
Alejandro Speck-Planche and Valeria V. Kleandrova(2020). Chapter 16. Demystifying Artificial Neural Networks as Generators of New Chemical Knowledge: Antimalarial Drug Discovery as a Case Study . Theoretical and Computational Chemistry Series. p. 398--423. Royal Society of Chemistry
V.V. Kleandrova and A. Speck-Planche(2017). Chapter 3 - Multitasking model for computer-aided design and virtual screening of compounds with high anti-HIV activity and desirable ADMET properties . Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In Silico Experiments and Back. p. 55 - 81. Elsevier
A. Speck-Planche and M.N.D.S. Cordeiro(2017). Chapter 6 - Speeding up the virtual design and screening of therapeutic peptides: Simultaneous prediction of anticancer activity and cytotoxicity . Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In Silico Experiments and Back. p. 127 - 147. Elsevier
Valeria V. Kleandrova and Feng Luan and Alejandro Speck-Planche and M. Nat{\'{a}}lia D. S. Cordeiro(2015). QSAR-Based Studies of Nanomaterials in the Environment . Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment. p. 506--534. {IGI} Global
Alejandro Speck-Planche, Valeria V. Kleandrova, Feng Luan, M. Natália D. S. Cordeiro(2015). QSAR-Based Studies of Nanomaterials in the Environment . 506--534{IGI} Global
EDITED BOOK
CONFERENCE PAPER
Alejandro Speck-Planche, Humberto Gonzalez-Diaz, Sonia Arrasate, Asier Gómez-SanJuan, Nuria Sotomayor, Esther Lete, Maria Natália D. S. Cordeiro(2013). Using Bob-Jenkins Operators and Spectral Moments to Predict In-Out Perturbations in the Synthetic Pathways involving Assymetric Catalysis of Intra-molecular Carbolithiations . Proceedings of The 17th International Electronic Conference on Synthetic Organic Chemistry. {MDPI}
Speck-Planche, A., Cordeiro, M.N.D.S.(2013). Chemoinformatics in drug design. Artificial neural networks for simultaneous prediction of anti-enterococci activities and toxicological profiles . IJCCI 2013 - Proceedings of the 5th International Joint Conference on Computational Intelligence. p. 458-465.
BOOK
Speck-Planche, A., Cordeiro, M.(2015). A general ann-based multitasking model for the discovery of potent and safer antibacterial agents . Methods in Molecular Biology. 1260. p. 45-64.
Kleandrova, V.V., Luan, F., Speck-Planche, A., Cordeiro, M. N.D.S.(2015). QSAR-based studies of nanomaterials in the environment . Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment. p. 506-534.
Speck-Planche, A., Cordeiro, M.N.D.S.(2014). Multi-tasking chemoinformatic model for the efficient discovery of potent and safer anti-bladder cancer agents . Bladder Cancer: Risk Factors, Emerging Treatment Strategies and Challenges. p. 71-93.
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