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Chemistry

Working Paper

Modeling Variance: A Variance-Motivated Approach to Molecular Prediction

na'il mitchell

Version 3 posted 20 November 2020

523

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Chemistry

Working Paper

AIMSim: An Accessible Cheminformatics Platform for Similarity Operations on Chemicals Datasets

Himaghna Bhattacharjee, Jackson Burns, Dionisios Vlachos

Version 5 posted 14 October 2022

1,595

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Chemistry

Working Paper

Combined LC-MS/MS feature grouping, statistical prioritization, and interactive networking in msFeaST

Kevin Mildau, Christoph Büschl, Jürgen Zanghellini, Justin J.J. van der Hooft

Version 1 posted 18 April 2024

294

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Chemistry

Review

Predicting SARS-CoV-2 Protein Interactions: Insights from Machine Learning

Nihal Dadheech

Version 1 posted 29 September 2023

208

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Chemistry

Working Paper

Sampling and Mapping Chemical Space with Extended Similarity Indices

Kenneth Lopez Perez, Edgar Lopez Lopez, Jose Luis Medina Franco, Ramon Miranda-Quintana

Version 1 posted 26 July 2023

321

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Chemistry

Working Paper

Art Driven by Visual Representations of Chemical Space

Daniela Gaytán-Hernández, Ana L. Chávez-Hernández, Edgar López-López, Jazmín Miranda-Salas, Fernanda I. Saldívar-González, José L. Medina-Franco

Version 1 posted 27 June 2023

473

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1

Citations

Chemistry

Working Paper

PyC2MC: an open-source software solution for visualization and treatment of high-resolution mass spectrometry data

Maxime Sueur, Julien F. Maillard, Oscar Lacroix-Andrivet, Christopher Paul Rüger, Pierre Giusti, Hélène Lavanant, Carlos Afonso

Version 1 posted 17 November 2022

730

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1

Citations

Chemistry

Working Paper

Introduction to Machine Learning for Chemists: An Undergraduate Course Using Python Notebooks for Visualization, Data Processing, Data Analysis, and Data Modeling

Deborah Lafuente, Brenda Cohen, Guillermo Fiorini, Agustín García, Mauro Bringas, Ezequiel Morzan, Diego Onna

Version 1 posted 10 February 2021

2,978

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Computer Science

Working Paper

Data Visualization in Data Science

S M Nazmuz Sakib

Version 2 posted 29 April 2022

1,025

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Chemistry

Review

Approaches for enhancing the analysis of chemical space for drug discovery

Fernanda I. Saldívar-González, José L. Medina-Franco

Version 1 posted 21 April 2022

1,048

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12 results in Data visualization in Keywords: Data visualization

Modeling Variance: A Variance-Motivated Approach to Molecular Prediction

AIMSim: An Accessible Cheminformatics Platform for Similarity Operations on Chemicals Datasets

Combined LC-MS/MS feature grouping, statistical prioritization, and interactive networking in msFeaST

Predicting SARS-CoV-2 Protein Interactions: Insights from Machine Learning

Sampling and Mapping Chemical Space with Extended Similarity Indices

Art Driven by Visual Representations of Chemical Space

PyC2MC: an open-source software solution for visualization and treatment of high-resolution mass spectrometry data

Introduction to Machine Learning for Chemists: An Undergraduate Course Using Python Notebooks for Visualization, Data Processing, Data Analysis, and Data Modeling

Data Visualization in Data Science

Approaches for enhancing the analysis of chemical space for drug discovery

12 results in Keywords: Data visualization