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Fragment Library of Colombian Natural Products: Generation and Comparative Chemoinformatic Analysis

Ana L. Chávez-Hernández, Johny R. Rodriguez-Pérez, Hector F. Cortés-Hernández, Hoover A. Valencia-Sanchez, Miguel Á. Chávez-Fumagalli, Jose L. Medina-Franco

Version 1 posted 10 May 2024

139

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Chemical Education

Working Paper

A Spanish Chemoinformatics GitBook for Chemical Data retrieval and Analysis using Python Programming

Fernanda I. Saldívar-González, Diana L. Prado-Romero, B. Raziel Cedillo-González, Ana L. Chávez-Hernández, Juan F. Avellaneda-Tamayo, Alejandro Gómez-García, Luis Juárez-Rivera, José L. Medina-Franco

Version 1 posted 12 January 2024

246

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Biological and Medicinal Chemistry

Working Paper

FragGT: Fragment-based evolutionary molecule generation with gene types

Joshua Meyers, Nathan Brown

Version 1 posted 19 February 2024

495

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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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Theoretical and Computational Chemistry

Review

Top 20 Influential AI-Based Technologies in Chemistry

Valentine Ananikov

Version 1 posted 12 April 2024

1,653

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Theoretical and Computational Chemistry

Working Paper

Chemoinformatic characterization of NAPROC-13: A database for natural product 13C NMR dereplication

Juan F. Avellaneda-Tamayo, Naicolette A. Agudo-Muñoz, Javier E. Sánchez-Galán, José Luis López-Pérez, José L. Medina-Franco

Version 2 posted 13 September 2024

175

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Chemical Education

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

442

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Robin Winter, Floriane Montanari, Frank Noé, Djork-Arné Clevert

Version 1 posted 30 July 2018

1,584

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Analytical Chemistry

Working Paper

Quantitative Characterization of Molecular-Stream Separation

Sven Kochmann, Sergey N. Krylov

Version 2 posted 22 July 2019

636

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Theoretical and Computational Chemistry

Working Paper

A Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Ligand-Target Predictions

Lewis Mervin, Avid M. Afzal, Ola Engkvist, Andreas Bender

Version 2 posted 07 May 2020

1,192

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Refine Search

44 results in ChemoInformatics in Keywords: ChemoInformatics

Fragment Library of Colombian Natural Products: Generation and Comparative Chemoinformatic Analysis

A Spanish Chemoinformatics GitBook for Chemical Data retrieval and Analysis using Python Programming

FragGT: Fragment-based evolutionary molecule generation with gene types

Latin American Natural Product Database (LANaPDB): an update

Top 20 Influential AI-Based Technologies in Chemistry

Chemoinformatic characterization of NAPROC-13: A database for natural product 13C NMR dereplication

Art Driven by Visual Representations of Chemical Space

Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations

Quantitative Characterization of Molecular-Stream Separation

A Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Ligand-Target Predictions

44 results in Keywords: ChemoInformatics