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Organic Chemistry

Working Paper

NaturAr, a collaborative, open source, database of natural products from Argentinian biodiversity for drug discovery and bioprospecting

Leandro Martínez-Heredia, Patricia Quispe, Julián Fernández, Martin Lavecchia

Version 1 posted 15 July 2024

148

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Theoretical and Computational Chemistry

Working Paper

A database of molecular properties integrated in the Materials Project

Evan Walter Clark Spotte-Smith, Orion Archer Cohen, Samuel Blau, Jason Munro, Ruoxi Yang, Rishabh Guha, Hetal Patel, Sudarshan Vijay, Patrick Huck, Ryan Kingsbury, Matthew Horton, Kristin Persson

Version 3 posted 04 October 2023

972

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Biological and Medicinal Chemistry

Working Paper

Latin American Natural Product Database (LANaPDB): an update

Alejandro Gómez-García, Daniel A. Acuña Jiménez, William J. Zamora, Haruna L. Barazorda-Ccahuana, Miguel Á. Chávez-Fumagalli, Marilia Valli, Adriano D. Andricopulo, Vanderlan da S. Bolzani, Dionisio A. Olmedo, Pablo N. Solís, Marvin J. Núñez, Johny R. Rodríguez Pérez, Hoover A. Valencia Sánchez, Héctor F. Cortés Hernández, Oscar M. Mosquera Martinez, Jose L. Medina-Franco

Version 1 posted 27 August 2024

172

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Catalysis

Working Paper

Fingerprint Analysis of X-Ray Absorption Spectra of Catalysts: From Linear Combination Fit to Machine-Learning Trained on Multielement Experimental Library

Bogdan Protsenko, Yuya Kakiuchi, Sergey Guda, David Trummer, Anna Zabilska, Svetlana Shapovalova, Alexander Soldatov, Olga Safonova, Christophe Coperet, Alexander Guda

Version 2 posted 01 October 2024

148

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Biological and Medicinal Chemistry

Working Paper

HSADab: A Comprehensive Database for Human Serum Albumin

Lei Zheng, Zhaoyi Zeng, Yao Zhao, Xiao Liu, Zhe Huai, Xudong Zhang, Zhaoxi Sun, John Z.H. Zhang

Version 1 posted 20 May 2024

174

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1

Citations

Materials Chemistry

Working Paper

Virtual screening for ultra-small NIR emitter with only two isolated hexatomic rings

Zuping Xiong, Jianyu Zhang, Lei Wang, Xiong Liu, Jing Zhi Sun, Haoke Zhang, Ben Zhong Tang

Version 1 posted 13 June 2024

274

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Analytical Chemistry

Working Paper

High Throughput FTIR Analysis of Macro and Microplastics with Plate Readers

Win Cowger, Lisa Roscher, Ali Chamas, Benjamin Maurer, Lukas Gehrke, Hannah Jebens, Gunnar Gerdts, Sebastian Primpke

Version 1 posted 21 April 2023

303

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1

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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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

Citations

Analytical Chemistry

Working Paper

Characterization of a High Throughput Approach for Large Scale Retention Measurement in Liquid Chromatography

Trevor Kempen, Tina Dahlseid, Thomas Lauer, Alexandru Florea, Isabella Aase, Nathan Cole-Dai, Simerjit Kaur, Caroline Southworth, Kathleen Grube, Jos Bhandari, Maria Sylvester, Ryan Schimek, Bob Pirok, Sarah Rutan, Dwight Stoll

Version 3 posted 23 June 2023

315

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Refine Search

37 results in Database in Keywords: Database

NaturAr, a collaborative, open source, database of natural products from Argentinian biodiversity for drug discovery and bioprospecting

A database of molecular properties integrated in the Materials Project

Latin American Natural Product Database (LANaPDB): an update

Fingerprint Analysis of X-Ray Absorption Spectra of Catalysts: From Linear Combination Fit to Machine-Learning Trained on Multielement Experimental Library

HSADab: A Comprehensive Database for Human Serum Albumin

Virtual screening for ultra-small NIR emitter with only two isolated hexatomic rings

High Throughput FTIR Analysis of Macro and Microplastics with Plate Readers

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

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

Characterization of a High Throughput Approach for Large Scale Retention Measurement in Liquid Chromatography

37 results in Keywords: Database