V
Vinicius M. Alves
Researcher at University of North Carolina at Chapel Hill
Publications - 48
Citations - 1232
Vinicius M. Alves is an academic researcher from University of North Carolina at Chapel Hill. The author has contributed to research in topics: Computer science & Quantitative structure–activity relationship. The author has an hindex of 16, co-authored 44 publications receiving 784 citations. Previous affiliations of Vinicius M. Alves include Universidade Federal de Goiás & National Institutes of Health.
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Journal ArticleDOI
Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity.
Rodolpho C. Braga,Vinicius M. Alves,Meryck F. B. Silva,Eugene N. Muratov,Denis Fourches,Luciano M. Lião,Alexander Tropsha,Carolina Horta Andrade +7 more
TL;DR: The development of an innovative and freely accessible web server for early identification of putative hERG blockers and non‐blockers in chemical libraries and develops robust and externally predictive binary and multiclass models.
Journal ArticleDOI
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.
Kamel Mansouri,Nicole Kleinstreuer,Ahmed Abdelaziz,Domenico Alberga,Vinicius M. Alves,Vinicius M. Alves,Patrik L. Andersson,Carolina Horta Andrade,Fang Bai,Ilya A. Balabin,Davide Ballabio,Emilio Benfenati,Barun Bhhatarai,Scott Boyer,Jingwen Chen,Viviana Consonni,Sherif Farag,Denis Fourches,Alfonso T. García-Sosa,Paola Gramatica,Francesca Grisoni,Christopher M. Grulke,Huixiao Hong,Dragos Horvath,Xin Hu,Ruili Huang,Nina Jeliazkova,Jiazhong Li,Xuehua Li,Huanxiang Liu,Serena Manganelli,Giuseppe Felice Mangiatordi,Uko Maran,Gilles Marcou,Todd M. Martin,Eugene N. Muratov,Dac-Trung Nguyen,Orazio Nicolotti,Nikolai Georgiev Nikolov,Ulf Norinder,Ester Papa,Michel Petitjean,Geven Piir,Pavel V. Pogodin,Vladimir Poroikov,Xianliang Qiao,Ann M. Richard,Alessandra Roncaglioni,Patricia Ruiz,Chetan Rupakheti,Chetan Rupakheti,Sugunadevi Sakkiah,Alessandro Sangion,Karl-Werner Schramm,Chandrabose Selvaraj,Imran Shah,Sulev Sild,Lixia Sun,Olivier Taboureau,Yun Tang,Igor V. Tetko,Roberto Todeschini,Weida Tong,Daniela Trisciuzzi,Alexander Tropsha,George Van Den Driessche,Alexandre Varnek,Zhongyu Wang,Eva Bay Wedebye,Antony J. Williams,Hongbin Xie,Alexey V. Zakharov,Ziye Zheng,Richard S. Judson +73 more
TL;DR: The Collaborative Modeling Project for Androgen Receptor Activity (CoMPARA) efforts are described, which follows the steps of the Collaborative Estrogen Recept Activity Prediction Project (CERAPP).
Journal ArticleDOI
Alarms about structural alerts
Vinicius M. Alves,Vinicius M. Alves,Eugene N. Muratov,Eugene N. Muratov,Stephen J. Capuzzi,Regina Politi,Yen Low,Rodolpho C. Braga,Alexey V. Zakharov,Alexander Sedykh,Elena Mokshyna,Sherif Farag,Carolina Horta Andrade,Victor E. Kuz’min,Denis Fourches,Alexander Tropsha +15 more
TL;DR: It is demonstrated that contrary to the common perception of QSAR models as "black boxes" they can be used to identify statistically significant chemical substructures (QSAR-based alerts) that influence toxicity.
Journal ArticleDOI
Tuning HERG out: antitarget QSAR models for drug development.
Rodolpho C. Braga,Vinicius M. Alves,Meryck F. B. Silva,Eugene N. Muratov,Denis Fourches,Alexander Tropsha,Carolina Horta Andrade +6 more
TL;DR: This study aimed to generate predictive and well-characterized quantitative structure-activity relationship (QSAR) models for hERG blockage using the largest publicly available dataset of 11,958 compounds from the ChEMBL database and identified putative hERG blockers and non-blockers among currently marketed drugs.
Journal ArticleDOI
Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals.
Rodolpho C. Braga,Vinicius M. Alves,Vinicius M. Alves,Eugene N. Muratov,Judy Strickland,Nicole Kleinstreuer,Alexander Trospsha,Carolina Horta Andrade +7 more
TL;DR: The Pred-Skin web app is the first tool available that incorporates quantitative structure-activity relationship (QSAR) models based on human data as well as multiclass models for LLNA for the identification of potential skin sensitizers.