Advanced search

Authors whose works are in public domain in at least one jurisdiction

List of works by Vinicius Alves

1-34 of 34 results

View this query on the Wikidata Query Service
Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

scientific article
Tuning HERG out: antitarget QSAR models for drug development

scientific article
Alarms about structural alerts

scientific article published on 28 June 2016
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
Virtual screening strategies in medicinal chemistry: the state of the art and current challenges.

scientific article published on January 2014
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

scientific article published on 07 February 2020
QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

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

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

scientific article published on May 2017
Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone

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
Deep Learning-driven research for drug discovery: Tackling Malaria

scientific article published on 18 February 2020
Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs.

scientific article published on 26 June 2019
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-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities.

scientific article published on 6 March 2018
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
A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment

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

scientific article published on January 1, 2013
Development of Web and Mobile Applications for Chemical Toxicity Prediction

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

scientific article published on 22 April 2020
Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships

QUIMIOINFORMÁTICA: UMA INTRODUÇÃO

Recent progress on cheminformatics approaches to epigenetic drug discovery

scientific article published on 30 September 2020
Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System

scientific article published on 16 June 2020
Learning from history: do not flatten the curve of antiviral research!

scientific article published on 15 July 2020
Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods

scientific article published on 3 February 2021
CATMoS: Collaborative Acute Toxicity Modeling Suite

scientific article published in April 2021
STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity

scientific article published in February 2022
Defining clinical outcome pathways

scientific article published in June 2022
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
Pred-Skin: A web portal for accurate prediction of human skin sensitizers

scientific article published on 16 July 2020
SCAM Detective: Accurate Predictor of Small, Colloidally-Aggregating Molecules

scientific article published on 17 July 2020

Paulina is supported by:

About Paulina

Help