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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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Theoretical and Computational Chemistry

Working Paper

Deep generative model of constructing chemical latent space for large molecular structures with 3D complexity

Toshiki Ochiai, Tensei Inukai, Manato Akiyama, Kairi Furui, Masahito Ohue, Nobuaki Matsumori, Shinsuke Inuki, Motonari Uesugi, Toshiaki Sunazuka, Kazuya Kikuchi, Hideaki Kakeya, Yasubumi Sakakibara

Version 2 posted 29 May 2023

789

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Organic Chemistry

Working Paper

Preparation of 3,5-methanobenzo[b]azepines: a novel sp3-rich Quinolone Isostere.

Loic Herter, Timothé Perrin, Thomas Fessard, christophe Salome

Version 3 posted 10 August 2023

950

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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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Analytical Chemistry

Working Paper

Exploring the Chemical Subspace of RPLC: a Data Driven Approach

Denice van Herwerden, Alexandros Nikolopoulos, Leon Barron, Jake O'Brien, Bob Pirok, Kevin Thomas, Saer Samanipour

Version 3 posted 23 January 2024

561

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Theoretical and Computational Chemistry

Working Paper

Expanding the chemical space using a Chemical Reaction Knowledge Graph

Emma Rydholm, Tomas Bastys, Emma Svensson, Christos Kannas, Ola Engkvist, Thierry Kogej

Version 1 posted 25 August 2023

592

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Analytical Chemistry

Review

Exploring the Chemical Space of the Exposome: How Far Have We Gone?

Saer Samanipour, Leon Barron, Denice van Herwerden, Antonia Praetorius, Kevin Thomas, Jake O'Brien

Version 1 posted 11 March 2024

265

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Theoretical and Computational Chemistry

Review

Spaces of mathematical chemistry

Guillermo Restrepo

Version 1 posted 22 December 2023

249

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Theoretical and Computational Chemistry

Working Paper

Leveraging Tree-Transformer VAE with fragment tokenization for high-performance large chemical generative model

Tensei Inukai, Aoi Yamato, Manato Akiyama, Yasubumi Sakakibara

Version 3 posted 08 November 2024

504

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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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Refine Search

82 results in Chemical space in Keywords: Chemical space

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

Deep generative model of constructing chemical latent space for large molecular structures with 3D complexity

Preparation of 3,5-methanobenzo[b]azepines: a novel sp3-rich Quinolone Isostere.

Latin American Natural Product Database (LANaPDB): an update

Exploring the Chemical Subspace of RPLC: a Data Driven Approach

Expanding the chemical space using a Chemical Reaction Knowledge Graph

Exploring the Chemical Space of the Exposome: How Far Have We Gone?

Spaces of mathematical chemistry

Leveraging Tree-Transformer VAE with fragment tokenization for high-performance large chemical generative model

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

82 results in Keywords: Chemical space