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Vinicius Barros Ribeiro da Silva
Appearances
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Interpreting quantitative structure-activity relationship models to guide drug discovery
Date
March 20, 2022
While the predictive performance of supervised learning models has improved over the years, the interpretability of modern machine learning algorithms remains poorly understood, especially in computational chemistry…
Presenter
Rohit Arora
Applications Scientist
,
Iktos Inc
Speakers
Doron Israel
Joseph-André Turk
Christohper Housseman
Stéphanie Labouille
Vinicius Barros Ribeiro da Silva
Nicolas Drizard
Quentin Perron
Molecule generation under the constraint of synthesizability
AI-based generative models are frequently used for de novo design in drug discovery projects to propose new molecules…
Speakers
Maud Parrot
Hamza Tajmouati
Vinicius Barros Ribeiro da Silva
Robin Fourcade
Yann Gaston-Mathe
Nicolas Do Huu
Quentin Perron
Presenter
Brian Atwood
Application Scientist
,
Iktos Inc
Molecule generation under the constraint of synthesizability
AI-based generative models are frequently used for de novo design in drug discovery projects to propose new molecules…
Speakers
Maud Parrot
Hamza Tajmouati
Vinicius Barros Ribeiro da Silva
Brian Atwood
Application Scientist
,
Iktos Inc
Robin Fourcade
Yann Gaston-Mathe
Nicolas Do Huu
Quentin Perron
Machine Learning in Chemistry: Generative Models
: [COMP] Division of Computers in Chemistry
Speakers
Alex Dickson
Michigan State University
Beihong Ji
University of Pittsburgh
Matthew Brock
Xibing He
Jingchen Zhai
Junmei Wang
Maud Parrot
Hamza Tajmouati
Vinicius Barros Ribeiro da Silva
Brian Atwood
Application Scientist
,
Iktos Inc
Robin Fourcade
Yann Gaston-Mathe
Nicolas Do Huu
Quentin Perron
Kianoosh Sattari
Jian Lin
Nathan Villavicencio
Michael Groves
Victor Fung
Research Staff
,
Oak Ridge National Laboratory
Shuyi Jia
Jiaxin Zhang
Sirui Bi
junqi Yin
Panchapakesan Ganesh
Marwin Segler
Yugang Zhang
Andrew D. McNaughton Jr.
Computational Scientist
,
Pacific Nortwest National Laboratory
Carter Knutson
Mridula Bontha
Neeraj Kumar
Francois Berenger
Koji Tsuda
Jacob D. Durrant
,
PhD
Associate Professor
,
University of Pittsburgh
Harrison Green
Molecule generation under the constraint of synthesizability
AI-based generative models are frequently used for de novo design in drug discovery projects to propose new molecules…
Speakers
Maud Parrot
Hamza Tajmouati
Vinicius Barros Ribeiro da Silva
Brian Atwood
Application Scientist
,
Iktos Inc
Robin Fourcade
Yann Gaston-Mathe
Nicolas Do Huu
Quentin Perron
Machine Learning in Chemistry: Generative Models
: [COMP] Division of Computers in Chemistry
Speakers
Alex Dickson
Michigan State University
Beihong Ji
University of Pittsburgh
Matthew Brock
Xibing He
Jingchen Zhai
Junmei Wang
Maud Parrot
Hamza Tajmouati
Vinicius Barros Ribeiro da Silva
Brian Atwood
Application Scientist
,
Iktos Inc
Robin Fourcade
Yann Gaston-Mathe
Nicolas Do Huu
Quentin Perron
Kianoosh Sattari
Jian Lin
Nathan Villavicencio
Michael Groves
Victor Fung
Research Staff
,
Oak Ridge National Laboratory
Shuyi Jia
Jiaxin Zhang
Sirui Bi
junqi Yin
Panchapakesan Ganesh
Marwin Segler
Yugang Zhang
Andrew D. McNaughton Jr.
Computational Scientist
,
Pacific Nortwest National Laboratory
Carter Knutson
Mridula Bontha
Neeraj Kumar
Francois Berenger
Koji Tsuda
Jacob D. Durrant
,
PhD
Associate Professor
,
University of Pittsburgh
Harrison Green
Molecule generation under the constraint of synthesizability
Date
March 29, 2023
AI-based generative models are frequently used for de novo design in drug discovery projects to propose new molecules…
Speakers
Maud Parrot
Hamza Tajmouati
Vinicius Barros Ribeiro da Silva
Robin Fourcade
Yann Gaston-Mathe
Nicolas Do Huu
Quentin Perron
Presenter
Brian Atwood
Application Scientist
,
Iktos Inc