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Biological and Medicinal Chemistry

Working Paper

Deciding Between One-Step and Two-Step Irreversible Inhibition Mechanisms on the Basis of “Kobs” Data: A Statistical Approach

Petr Kuzmic

Version 2 posted 06 August 2020

1,165

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Materials Science

Working Paper

Can the NIST Adsorption Database Be Used to Highlight Potential Materials for Gas Separation?

Paul Iacomi, Philip L. Llewellyn

Version 2 posted 19 August 2019

1,304

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1

Citations

Catalysis

Working Paper

A General Fitting Function to Estimate Apparent Reaction Orders of Kinetic Profiles

Robert Pollice

Version 1 posted 25 March 2019

1,265

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Analytical Chemistry

Working Paper

Chemical Proportionality within Molecular Networks

Daniel Petras, Andrés Mauricio Caraballo-Rodríguez, Alan K. Jarmusch, Carlos Molina-Santiago, Julia M. Gauglitz, Emily Gentry, Pedro Belda-Ferre, Diego Romero, Shirley M. Tsunoda, Pieter C. Dorrestein, Mingxun Wang

Version 1 posted 12 April 2021

661

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1

Citations

Theoretical and Computational Chemistry

Working Paper

AIDrugApp: Artificial Intelligence-based Web-App for Virtual Screening of Inhibitors against SARS-COV-2

Divya Karade, Vikas Karade

Version 1 posted 02 December 2020

996

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Analytical Chemistry

Working Paper

PythoMS: A Python Framework to Simplify and Assist in the Processing and Interpretation of Mass Spectrometric Data

Lars Yunker, Darien Yeung, J Scott McIndoe

Version 1 posted 29 October 2018

1,033

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1

Citations

Analytical Chemistry

Working Paper

psm_utils: A high level Python API for parsing and handling peptide-spectrum-matches and proteomics search results

Ralf Gabriels, Arthur Declercq, Robbin Bouwmeester, Sven Degroeve, Lennart Martens

Version 1 posted 03 October 2022

213

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Discovering life’s directed metabolic (sub)paths to interpret biochemical markers using the DSMN

Denise Slenter, M. Kutmon, Chris T. Evelo, Egon L. Willighagen

Version 2 posted 21 April 2023

214

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Materials Science

Working Paper

Noise Reduction of Low Count STEM-EDX Data by Low-rank Regularized Spectral Smoothing

Keisuke Ozawa

Version 2 posted 15 September 2022

212

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Catalysis

Working Paper

Development and Molecular Understanding of a Pd-catalyzed Cyanation of Aryl Boronic Acids Enabled by High-Throughput Experimentation and Data Analysis

Jordan De Jesus Silva, Niccolò Bartalucci, Benson Jelier, Samantha Grosslight, Tobias Gensch, Claas Schünemann, Bernd Müller, Paul C. J. Kamer, Christophe Copéret, Matthew S. Sigman, Antonio Togni

Version 1 posted 20 July 2021

646

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23 results in Data Analysis in Keywords: Data Analysis

Deciding Between One-Step and Two-Step Irreversible Inhibition Mechanisms on the Basis of “Kobs” Data: A Statistical Approach

Can the NIST Adsorption Database Be Used to Highlight Potential Materials for Gas Separation?

A General Fitting Function to Estimate Apparent Reaction Orders of Kinetic Profiles

Chemical Proportionality within Molecular Networks

AIDrugApp: Artificial Intelligence-based Web-App for Virtual Screening of Inhibitors against SARS-COV-2

PythoMS: A Python Framework to Simplify and Assist in the Processing and Interpretation of Mass Spectrometric Data

psm_utils: A high level Python API for parsing and handling peptide-spectrum-matches and proteomics search results

Discovering life’s directed metabolic (sub)paths to interpret biochemical markers using the DSMN

Noise Reduction of Low Count STEM-EDX Data by Low-rank Regularized Spectral Smoothing

Development and Molecular Understanding of a Pd-catalyzed Cyanation of Aryl Boronic Acids Enabled by High-Throughput Experimentation and Data Analysis

23 results in Keywords: Data Analysis