List of works - Alejandro Speck-Planche

A general ANN-based multitasking model for the discovery of potent and safer antibacterial agents

scientific article published on January 2015

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

scientific article published on 11 June 2012

Advanced in silico approaches for drug discovery: Mining information from multiple biological and chemical data through mtk-QSBER and pt-QSPR strategies

scientific article

BET bromodomain inhibitors: fragment-based in silico design using multi-target QSAR models

scientific article published on 12 November 2018

Cell-based multi-target QSAR model for design of virtual versatile inhibitors of liver cancer cell lines

scientific article published on 24 September 2020

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

scientific article published on January 2014

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

scientific article published on 24 March 2013

Chemoinformatics in anti-cancer chemotherapy: multi-target QSAR model for the in silico discovery of anti-breast cancer agents

scientific article published on 17 April 2012

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

scientific article published on 2 November 2018

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

scientific article published on 29 August 2014

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

scientific article

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.

scientific article

Computer-Aided Drug Design Methodologies Toward the Design of Anti-Hepatitis C Agents ⬇️

scientific article published on January 1, 2012

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

scientific article

Current tendencies in antimicrobial research: medicinal chemistry of antibacterial agents and advances in the use of computational methodologies

scientific article published in January 2013

Editorial: Nosocomial infections: an increasing challenge to medicinal chemistry

scientific article published in January 2014

Enabling the Discovery and Virtual Screening of Potent and Safe Antimicrobial Peptides. Simultaneous Prediction of Antibacterial Activity and Cytotoxicity.

scientific article

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

scientific article published in August 2017

Evolution of graph theory-based QSAR methods and their applications to the search for new antibacterial agents

scientific article published on January 2013

First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens

scientific article published on 9 March 2016

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

scientific article

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

scientific article published on 13 February 2017

In Silico Discovery and Virtual Screening of Multi-Target Inhibitors for Proteins in Mycobacterium tuberculosis

scientific article published on 01 September 2012

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

scientific article published on 22 October 2011

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

scientific article published on September 2012

Multi-Condition QSAR Model for the Virtual Design of Chemicals with Dual Pan-Antiviral and Anti-Cytokine Storm Profiles

scientific article published in 2022

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

scientific article published on 13 September 2011

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

scientific article published in February 2013

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

scientific article

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

scientific article published in February 2013

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

scientific article published on 20 April 2012

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

scientific article published in January 2012

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

scientific article published on 02 June 2011

Rational design of new agrochemical fungicides using substructural descriptors

scientific article published on 06 January 2011

Rational drug design for anti-cancer chemotherapy: multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents

scientific article

Recent advances in fragment-based computational drug design: tackling simultaneous targets/biological effects

scientific article published on 30 July 2018

Role of ligand-based drug design methodologies toward the discovery of new anti- Alzheimer agents: futures perspectives in Fragment-Based Ligand Design.

scientific article published on January 2012

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

scientific article published on 9 January 2014

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

scientific article published on 24 April 2017

The urgent need for pan-antiviral agents: from multitarget discovery to multiscale design

scientific article published on 23 November 2020

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

scientific article

List of works by Alejandro Speck-Planche

A general ANN-based multitasking model for the discovery of potent and safer antibacterial agents

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

Advanced in silico approaches for drug discovery: Mining information from multiple biological and chemical data through mtk-QSBER and pt-QSPR strategies

BET bromodomain inhibitors: fragment-based in silico design using multi-target QSAR models

Cell-based multi-target QSAR model for design of virtual versatile inhibitors of liver cancer cell lines

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

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

Chemoinformatics in anti-cancer chemotherapy: multi-target QSAR model for the in silico discovery of anti-breast cancer agents

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

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

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

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.

Computer-Aided Drug Design Methodologies Toward the Design of Anti-Hepatitis C Agents ⬇️

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

Current tendencies in antimicrobial research: medicinal chemistry of antibacterial agents and advances in the use of computational methodologies

Editorial: Nosocomial infections: an increasing challenge to medicinal chemistry

Enabling the Discovery and Virtual Screening of Potent and Safe Antimicrobial Peptides. Simultaneous Prediction of Antibacterial Activity and Cytotoxicity.

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

Evolution of graph theory-based QSAR methods and their applications to the search for new antibacterial agents

First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens

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

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

In Silico Discovery and Virtual Screening of Multi-Target Inhibitors for Proteins in Mycobacterium tuberculosis

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

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

Multi-Condition QSAR Model for the Virtual Design of Chemicals with Dual Pan-Antiviral and Anti-Cytokine Storm Profiles

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

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

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

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

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

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

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

Rational design of new agrochemical fungicides using substructural descriptors

Rational drug design for anti-cancer chemotherapy: multi-target QSAR models for the in silico discovery of anti-colorectal cancer agents

Recent advances in fragment-based computational drug design: tackling simultaneous targets/biological effects

Role of ligand-based drug design methodologies toward the discovery of new anti- Alzheimer agents: futures perspectives in Fragment-Based Ligand Design.

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

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

The urgent need for pan-antiviral agents: from multitarget discovery to multiscale design

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