Alejandro Speck-Planche

发表

Combining Ensemble Learning with a Fragment-Based Topological Approach To Generate New Molecular Diversity in Drug Discovery: In Silico Design of Hsp90 Inhibitors

Alejandro Speck-Planche, A. Speck-Planche, 2018, ACS omega.

PTML Modeling for Alzheimer's Disease: Design and Prediction of Virtual Multi-Target Inhibitors of GSK3B, HDAC1, and HDAC6.

Alejandro Speck-Planche, Valeria V Kleandrova, V. V. Kleandrova, 2020, Current topics in medicinal chemistry.

Computer-aided discovery in antimicrobial research: In silico model for virtual screening of potent and safe anti-pseudomonas agents.

Maria N D S Cordeiro, Alejandro Speck-Planche, 2015, Combinatorial chemistry & high throughput screening.

PTML-ANN Model for Simultaneous Prediction of Cytotoxic and Ecotoxic Effect of Nanoparticles

Alejandro Speck-Planche, Valeria V. Kleandrova, 2019 .

Chemoinformatics in antibacterial drug discovery: Simultaneous modeling of anti-enterococci activities and ADMET profiles through the use of probabilistic quadratic indices

Alejandro Speck-Planche, Valeria V. Kleandrova, Maria Natalia Dias Soeiro Cordeiro, 2015 .

Chemoinformatics in multi-target drug discovery for anti-cancer therapy: in silico design of potent and versatile anti-brain tumor agents.

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2012, Anti-cancer agents in medicinal chemistry.

Advanced In Silico Approaches for Drug Discovery: Mining Information from Multiple Biological and Chemical Data Through mtk- QSBER and pt-QSPR Strategies.

Alejandro Speck-Planche, Maria Natália Dias Soeiro Cordeiro, 2017, Current medicinal chemistry.

In silico assessment of the acute toxicity of chemicals: recent advances and new model for multitasking prediction of toxic effect.

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2015, Mini reviews in medicinal chemistry.

Multitasking models for quantitative structure–biological effect relationships: current status and future perspectives to speed up drug discovery

Alejandro Speck-Planche, Maria Natália Dias Soeiro Cordeiro, M. Cordeiro, 2015, Expert opinion on drug discovery.

Enabling virtual screening of potent and safer antimicrobial agents against noma: mtk-QSBER model for simultaneous prediction of antibacterial activities and ADMET properties.

Alejandro Speck-Planche, M N D S Cordeiro, A. Speck-Planche, 2015, Mini reviews in medicinal chemistry.

Current computational approaches towards the rational design of new insecticidal agents.

Alejandro Speck-Planche, Maria Natalia Dias Soeiro Cordeiro, Lisvey Guilarte-Montero, 2011, Current computer-aided drug design.

Unified multi-target approach for the rational in silico design of anti-bladder cancer agents.

Feng Luan, Alejandro Speck-Planche, Valeria V Kleandrova, 2013, Anti-cancer agents in medicinal chemistry.

nanotoxicology : assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach †

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2014 .

Multi-Target QSAR Approaches for Modeling Protein Inhibitors. Simultaneous Prediction of Activities Against Biomacromolecules Present in Gram-Negative Bacteria.

Alejandro Speck-Planche, M N D S Cordeiro, M. Cordeiro, 2015, Current topics in medicinal chemistry.

Fragment-based approach for the in silico discovery of multi-target insecticides

Alejandro Speck-Planche, Marcus Tullius Scotti, Valeria V. Kleandrova, 2012 .

In silico discovery and virtual screening of multi-target inhibitors for proteins in Mycobacterium tuberculosis.

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2012, Combinatorial chemistry & high throughput screening.

Fragment-based QSAR model toward the selection of versatile anti-sarcoma leads.

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2011, European journal of medicinal chemistry.

QSAR model toward the rational design of new agrochemical fungicides with a defined resistance risk using substructural descriptors

Alejandro Speck-Planche, Valeria V. Kleandrova, V. V. Kleandrova, 2011, Molecular Diversity.

Simultaneous modeling of antimycobacterial activities and ADMET profiles: a chemoinformatic approach to medicinal chemistry.

Alejandro Speck-Planche, M N D S Cordeiro, M. Cordeiro, 2013, Current topics in medicinal chemistry.

Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads.

Alejandro Speck-Planche, M Natália Dias Soeiro Cordeiro, 2017, ACS combinatorial science.

Matrix trace operators: from spectral moments of molecular graphs and complex networks to perturbations in synthetic reactions, micelle nanoparticles, and drug ADME processes.

Sonia Arrasate, Nuria Sotomayor, Esther Lete, 2014, Current drug metabolism.

Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins

Alejandro Speck-Planche, M Natália D S Cordeiro, M. Cordeiro, 2017, Molecular Diversity.

Computational ecotoxicology: simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions.

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2014, Environment international.

Predicting multiple ecotoxicological profiles in agrochemical fungicides: a multi-species chemoinformatic approach.

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2012, Ecotoxicology and environmental safety.

Chemoinformatics for medicinal chemistry: in silico model to enable the discovery of potent and safer anti-cocci agents.

Alejandro Speck-Planche, Maria Natália Dias Soeiro Cordeiro, M. Cordeiro, 2014, Future medicinal chemistry.

Current drug design of anti-HIV agents through the inhibition of C-C chemokine receptor type 5.

Alejandro Speck-Planche, Maria Natalia Dias Soeiro Cordeiro, A. Speck-Planche, 2011, Current computer-aided drug design.

Chemoinformatics for rational discovery of safe antibacterial drugs: simultaneous predictions of biological activity against streptococci and toxicological profiles in laboratory animals.

Alejandro Speck-Planche, Valeria V Kleandrova, V. V. Kleandrova, 2013, Bioorganic & medicinal chemistry.

Current pharmaceutical design of antituberculosis drugs: future perspectives.

Alejandro Speck-Planche, Marcus Tulius Scotti, A. Speck-Planche, 2010, Current pharmaceutical design.

Rational design of new agrochemical fungicides using substructural descriptors.

Alejandro Speck-Planche, Eugenio Uriarte, Lisvey Guilarte-Montero, 2011, Pest management science.

3D-QSAR Methodologies and Molecular Modeling in Bioinformatics for the Search of Novel Anti-HIV Therapies: Rational Design of Entry Inhibitors

Alejandro Speck-Planche, Marcus Tullius Scotti, Maria Natália Dias Soeiro Cordeiro, 2013 .

De novo computational design of compounds virtually displaying potent antibacterial activity and desirable in vitro ADMET profiles

M. Natália D. S. Cordeiro, Alejandro Speck-Planche, M. Cordeiro, 2017, Medicinal Chemistry Research.

Multi-target drug discovery in anti-cancer therapy: fragment-based approach toward the design of potent and versatile anti-prostate cancer agents.

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2011, Bioorganic & medicinal chemistry.

Probing the toxicity of nanoparticles: a unified in silico machine learning model based on perturbation theory

M. Natália D. S. Cordeiro, Alejandro Speck-Planche, Valeria V. Kleandrova, 2017, Nanotoxicology.

Editorial (Hot Topic: Computer-Aided Drug Design, Synthesis and Evaluation of New Anti-Cancer Drugs)

M. Natália D. S. Cordeiro, Alejandro Speck-Planche, M. Cordeiro, 2013 .

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.

Feng Luan, Alejandro Speck-Planche, M Natalia D S Cordeiro, 2014, Current drug metabolism.

Simultaneous virtual prediction of anti-Escherichia coli activities and ADMET profiles: A chemoinformatic complementary approach for high-throughput screening.

Alejandro Speck-Planche, M N D S Cordeiro, M. Cordeiro, 2014, ACS combinatorial science.

Computer-aided drug design methodologies toward the design of anti-hepatitis C agents.

Alejandro Speck-Planche, M Natália D S Cordeiro, M. Cordeiro, 2012, Current topics in medicinal chemistry.

Multi-target inhibitors for proteins associated with Alzheimer: in silico discovery using fragment-based descriptors.

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2013, Current Alzheimer research.

Computational modeling in nanomedicine: prediction of multiple antibacterial profiles of nanoparticles using a quantitative structure-activity relationship perturbation model.

Feng Luan, Alejandro Speck-Planche, Valeria V Kleandrova, 2015, Nanomedicine.

Monoamino oxidase a: an interesting pharmacological target for the development of multi-target QSAR.

Alejandro Speck-Planche, Lourdes Santana, Eugenio Uriarte, 2012, Mini reviews in medicinal chemistry.

A ligand-based approach for the in silico discovery of multi-target inhibitors for proteins associated with HIV infection.

Feng Luan, Alejandro Speck-Planche, M Natália D S Cordeiro, 2012, Molecular bioSystems.

In silico design of multi-target inhibitors for C–C chemokine receptors using substructural descriptors

Alejandro Speck-Planche, Valeria V. Kleandrova, V. V. Kleandrova, 2011, Molecular Diversity.

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.

Alejandro Speck-Planche, M Natália D S Cordeiro, Valeria V Kleandrova, 2013, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Multiple Perspectives in Anti-cancer Drug Discovery: From old Targets and Natural Products to Innovative Computational Approaches.

Alejandro Speck-Planche, A. Speck-Planche, 2019, Anti-cancer agents in medicinal chemistry.

QSAR and molecular docking techniques for the discovery of potent monoamine oxidase B inhibitors: computer-aided generation of new rasagiline bioisosteres.

Alejandro Speck-Planche, Valeria V Kleandrova, V. V. Kleandrova, 2012, Current topics in medicinal chemistry.

Editorial: Computer-Aided Drug Design, Synthesis and Evaluation of New Anti-Cancer Drugs

M. Natália D. S. Cordeiro, Alejandro Speck-Planche, 2013 .

QSAR-Based Studies of Nanomaterials in the Environment

M. Natália D. S. Cordeiro, Feng Luan, Alejandro Speck-Planche, 2017 .