Lista de obras - Vinicius Alves - Dominio Público Uruguay

A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment

Alarms about structural alerts

artículo científico publicado en 2016

CATMoS: Collaborative Acute Toxicity Modeling Suite

artículo científico publicado en 2021

COVID-19 Knowledge Extractor (COKE): A Curated Repository of Drug-Target Associations Extracted from the CORD-19 Corpus of Scientific Publications on COVID-19

publication published in 2021

COVID-19 knowledge extractor (COKE): a tool and a web portal to extract drug-target protein associations from the CORD-19 corpus of scientific publications on COVID-19

artículo científico publicado en 2020

Chemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?

artículo científico publicado en 2017

Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs.

artículo científico publicado en 2019

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

scientific article published on 07 February 2020

Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone

article

Computational Models Identify Several FDA Approved or Experimental Drugs as Putative Agents Against SARS-CoV-2

artículo científico publicado en 2020

Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System

scientific article published on 16 June 2020

Deep Learning-driven research for drug discovery: Tackling Malaria

scientific article published on 18 February 2020

Defining clinical outcome pathways

artículo científico publicado en 2022

Development of Web and Mobile Applications for Chemical Toxicity Prediction

article

Learning from history: do not flatten the curve of antiviral research!

artículo científico publicado en 2020

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models

article

Oy Vey! A Comment on "Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility"

artículo científico publicado en 2019

Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals.

artículo científico publicado en 2017

Pred-Skin: A web portal for accurate prediction of human skin sensitizers

artículo científico publicado en 2020

Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

artículo científico publicado en 2015

Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds

artículo científico publicado en 2015

Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

artículo científico publicado en 2015

QSAR Modeling of SARS-CoV M<sup>pro</sup> Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS-CoV-2

scientific article published on 24 August 2020

QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

artículo científico publicado en 2016

QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities.

artículo científico publicado en 2018

QUIMIOINFORMÁTICA: UMA INTRODUÇÃO

Recent progress on cheminformatics approaches to epigenetic drug discovery

scientific article published on 30 September 2020

SCAM Detective: Accurate Predictor of Small, Colloidally-Aggregating Molecules

artículo científico publicado en 2020

Synthesis, Docking Studies, Pharmacological Activity and Toxicity of a Novel Pyrazole Derivative (LQFM 021)—Possible Effects on Phosphodiesterase ⬇️

artículo científico publicado el 1 de enero de 2013

Tuning HERG out: antitarget QSAR models for drug development

artículo científico publicado en 2014

Virtual screening strategies in medicinal chemistry: the state of the art and current challenges.

artículo científico

Lista de obras de Vinicius Alves

A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment

Alarms about structural alerts

CATMoS: Collaborative Acute Toxicity Modeling Suite

COVID-19 Knowledge Extractor (COKE): A Curated Repository of Drug-Target Associations Extracted from the CORD-19 Corpus of Scientific Publications on COVID-19

COVID-19 knowledge extractor (COKE): a tool and a web portal to extract drug-target protein associations from the CORD-19 corpus of scientific publications on COVID-19

Chemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?

Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs.

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone

Computational Models Identify Several FDA Approved or Experimental Drugs as Putative Agents Against SARS-CoV-2

Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System

Deep Learning-driven research for drug discovery: Tackling Malaria

Defining clinical outcome pathways

Development of Web and Mobile Applications for Chemical Toxicity Prediction

Learning from history: do not flatten the curve of antiviral research!

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models

Oy Vey! A Comment on "Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility"

Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals.

Pred-Skin: A web portal for accurate prediction of human skin sensitizers

Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds

Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization

QSAR Modeling of SARS-CoV M<sup>pro</sup> Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS-CoV-2

QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities.

QUIMIOINFORMÁTICA: UMA INTRODUÇÃO

Recent progress on cheminformatics approaches to epigenetic drug discovery

SCAM Detective: Accurate Predictor of Small, Colloidally-Aggregating Molecules

Synthesis, Docking Studies, Pharmacological Activity and Toxicity of a Novel Pyrazole Derivative (LQFM 021)—Possible Effects on Phosphodiesterase ⬇️

Tuning HERG out: antitarget QSAR models for drug development

Virtual screening strategies in medicinal chemistry: the state of the art and current challenges.