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Analytical Chemistry

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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Fabio Urbina

3 results in Authors: Fabio Urbina

Theoretical and Computational Chemistry

A Very Large-Scale Bioactivity Comparison of Deep Learning and Multiple Machine Learning Algorithms for Drug Discovery

Thomas R. Lane, Daniel H. Foil, Eni Minerali, Fabio Urbina, Kimberley M. Zorn, sean ekins

Version 1 posted 10 August 2020

809

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Analytical Chemistry

UV-adVISor: Attention-Based Recurrent Neural Networks to Predict UV-Vis Spectra

Fabio Urbina, Kushal Batra, Kevin Luebke, Jason White, Daniel Matsiev, Lori Olson, Jeremiah Malerich, Maggie Hupcey, Peter Madrid, Sean Ekins

Version 1 posted 19 August 2021

990

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Biological and Medicinal Chemistry

MegaSyn: Integrating Generative Molecule Design, Automated Analog Designer and Synthetic Viability Prediction

Fabio Urbina, Christopher Lowden, Christopher Culberson, Sean Ekins

Version 1 posted 30 September 2021

2,540

Downloads

3

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