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Biological and Medicinal Chemistry

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Approaches for enhancing the analysis of chemical space for drug discovery

Fernanda I. Saldívar-González, José L. Medina-Franco

Version 1 posted 21 April 2022

1,040

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Theoretical and Computational Chemistry

Working Paper

Exploring activity landscapes with extended similarity: is Tanimoto enough?

Timothy Dunn, Edgar Lopez-Lopez, Taewon Kim, Jose Luis Medina Franco, Ramon Miranda-Quintana

Version 1 posted 25 January 2023

604

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Biological and Medicinal Chemistry

Working Paper

Synthesis of α3β4 Nicotinic Acetylcholine Receptor Modulators Derived from Aristoquinoline that Reduce Reinstatement of Cocaine-Seeking Behavior

Lisa E. Rusali, Ana M. Lopez-Hernandez, Kyle M. Kremiller, Gauri C. Kulkarni, Abhishek Gour, Carolyn J. Straub, Malaika D. Argade, Christian J. Peters, Abhisheak Sharma, Lawrence Toll, Andrea Cippitelli, Andrew P. Riley

Version 2 posted 15 November 2023

351

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Theoretical and Computational Chemistry

Working Paper

Exploiting Vector Pattern Diversity of Molecular Scaffolds for Cheminformatics Tasks in Drug Discovery

Daniela Dolciami, Robert Ziolek, Daniel Davies, Michael Carter, Yi Mok, Richard Sherhod

Version 2 posted 10 January 2024

401

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Agriculture and Food Chemistry

Working Paper

Food Chemicals and Epigenetic Targets: Assembling an Epi Food Chemical Database

K. Eurídice Juárez-Mercado, Juan F. Avellaneda-Tamayo, Hassan Villegas-Quintero, Ana L. Chávez-Hernández, Claudia Daniela López-López, José L. Medina-Franco

Version 2 posted 31 August 2023

310

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Theoretical and Computational Chemistry

Working Paper

A Chemographic Audit of Anti-Coronavirus Structure-Activity Information from Public Databases (ChEMBL)

Dragos Horvath, Alexey Orlov, Dmitry Osolodkin, Gilles Marcou, Aydar A. Ishmukhametov, Alexandre Varnek

Version 1 posted 10 April 2020

757

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Epigenetic Target Prediction with Accurate Machine Learning Models

Norberto Sánchez-Cruz, Jose L. Medina-Franco

Version 1 posted 06 January 2021

528

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Biological and Medicinal Chemistry

Working Paper

Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules

Norberto Sánchez-Cruz, Jose L. Medina-Franco

Version 1 posted 07 January 2021

398

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Biological and Medicinal Chemistry

Working Paper

Mapping the chemical space of active-site targeted covalent ligands for protein tyrosine phosphatases

Suk ho Hong, Sarah Y Xi, Andrew C Johns, Lauren C Tang, Allyson Li, Madeleine N Hum, Cassandra A Chartier, Marko Jovanovic, Neel H Shah

Version 2 posted 06 March 2023

831

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Organic Chemistry

Working Paper

Synthesis and Structure-Activity Relationship Studies of C(13)-Desmethylene-(−)-Zampanolide Analogs

Tobias Michael Brütsch, Etienne Cotter, Daniel Lucena-Agell, Mariano Redondo-Horcajo, Carolina Davies, Bernhard Pfeiffer, Sandro Pagani, Simone Berardozzi, J. Fernando Díaz, John H. Miller, Karl-Heinz Altmann

Version 2 posted 18 January 2023

453

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Refine Search

17 results in Structure-Activity Relationships in Keywords: Structure-Activity Relationships

Approaches for enhancing the analysis of chemical space for drug discovery

Exploring activity landscapes with extended similarity: is Tanimoto enough?

Synthesis of α3β4 Nicotinic Acetylcholine Receptor Modulators Derived from Aristoquinoline that Reduce Reinstatement of Cocaine-Seeking Behavior

Exploiting Vector Pattern Diversity of Molecular Scaffolds for Cheminformatics Tasks in Drug Discovery

Food Chemicals and Epigenetic Targets: Assembling an Epi Food Chemical Database

A Chemographic Audit of Anti-Coronavirus Structure-Activity Information from Public Databases (ChEMBL)

Epigenetic Target Prediction with Accurate Machine Learning Models

Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules

Mapping the chemical space of active-site targeted covalent ligands for protein tyrosine phosphatases

Synthesis and Structure-Activity Relationship Studies of C(13)-Desmethylene-(−)-Zampanolide Analogs

17 results in Keywords: Structure-Activity Relationships