List of works by Vinicius Alves

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

Alarms about structural alerts

scientific article published on 28 June 2016

CATMoS: Collaborative Acute Toxicity Modeling Suite

scientific article published in April 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

scientific article published on 26 November 2020

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

scientific article published on 12 April 2017

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

scientific article published on 26 June 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

scientific article published on 22 April 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

scientific article published in June 2022

Development of Web and Mobile Applications for Chemical Toxicity Prediction

article

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

scientific article published on 15 July 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"

scientific article published on 01 January 2019

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

scientific article published on May 2017

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

scientific article published on 16 July 2020

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

scientific article

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

scientific article

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

scientific article published on 3 January 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

scientific article

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

scientific article published on 6 March 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

scientific article published on 17 July 2020

Synthesis, docking studies, pharmacological activity and toxicity of a novel pyrazole derivative (LQFM 021)--possible effects on phosphodiesterase

scientific article published on January 2013

Tuning HERG out: antitarget QSAR models for drug development

scientific article

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

scientific article published on January 2014

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