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Analytical Chemistry

Working Paper

An Approach to High Throughput Measurement of Accurate Retention Data in Liquid Chromatography

Dwight Stoll, Gudrun Kainz, Tina Dahlseid, Trevor Kempen, Tyler Brau, Bob Pirok

Version 2 posted 11 July 2022

323

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1

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Catalysis

Working Paper

OSCAR: An Extensive Repository of Chemically and Functionally Diverse Organocatalysts

Simone Gallarati, Puck van Gerwen, Ruben Laplaza, Sergi Vela, Alberto Fabrizio, Clemence Corminboeuf

Version 1 posted 30 August 2022

667

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Agriculture and Food Chemistry

Working Paper

Animal Species Identification of Meat Using MALDI-TOF Mass Spectrometry

Jörg Rau, Ekkehard Hiller, Annegret Männig, Martin Dyk, Olivera Wenninger, Philipp Stoll, Gudrun Wibbelt, Pat Schreiter

Version 1 posted 18 March 2021

903

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Combined Graph/relational Database Management System for Calculated Chemical Reaction Pathway Data

Timur Gimadiev, Ramil Nugmanov, Dinar Batyrshin, Timur Madzhidov, Satoshi Maeda, Pavel Sidorov, Alexandre Varnek

Version 1 posted 23 October 2020

798

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Theoretical and Computational Chemistry

Working Paper

High-Throughput Predictions of Metal–Organic Framework Electronic Properties: Theoretical Challenges, Graph Neural Networks, and Data Exploration

Andrew S. Rosen, Victor Fung, Patrick Huck, Cody T. O'Donnell, Matthew K. Horton, Donald G. Truhlar, Kristin A. Persson, Justin M. Notestein, Randall Q. Snurr

Version 1 posted 13 December 2021

733

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2

Citations

Organic Chemistry

Working Paper

The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 2: cata-condensed Hetero-Polycyclic Aromatic Systems

Eduardo Mayo Yanes, Sabyasachi Chakraborty, Renana Gershoni-Poranne

Version 1 posted 26 July 2023

276

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Materials Science

Working Paper

DBgen: A Python Library for Defining Scalable, Maintainable, Accessible, Reconfigurable, Transparent (SMART) Data Pipelines

Michael Statt, Kristopher Brown, Santosh Suram, Linda Hung, Daniel Schweigert, John Gregoire, Brian Rohr

Version 1 posted 30 July 2021

447

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Biological and Medicinal Chemistry

Working Paper

BIOMX-DB: A web application for the BIOFACQUIM natural product database

Fernando Martínez-Urrutia, José L. Medina-Franco

Version 1 posted 16 February 2024

211

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Analytical Chemistry

Working Paper

CCSfind: A tool for chemically informed LC-IM-MS database building

Sangeeta Kumari, Tim Causon

Version 1 posted 01 March 2024

165

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Materials Chemistry

Working Paper

DigiMOF: A Database of MOF Synthesis Information Generated via Text Mining

Kristian Gubsch, Rosalee Bence, Lawson Glasby, Peyman Z. Moghadam

Version 1 posted 18 May 2022

864

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2

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Refine Search

37 results in database in Keywords: database

An Approach to High Throughput Measurement of Accurate Retention Data in Liquid Chromatography

OSCAR: An Extensive Repository of Chemically and Functionally Diverse Organocatalysts

Animal Species Identification of Meat Using MALDI-TOF Mass Spectrometry

Combined Graph/relational Database Management System for Calculated Chemical Reaction Pathway Data

High-Throughput Predictions of Metal–Organic Framework Electronic Properties: Theoretical Challenges, Graph Neural Networks, and Data Exploration

The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 2: cata-condensed Hetero-Polycyclic Aromatic Systems

DBgen: A Python Library for Defining Scalable, Maintainable, Accessible, Reconfigurable, Transparent (SMART) Data Pipelines

BIOMX-DB: A web application for the BIOFACQUIM natural product database

CCSfind: A tool for chemically informed LC-IM-MS database building

DigiMOF: A Database of MOF Synthesis Information Generated via Text Mining

37 results in Keywords: database