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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

437

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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

341

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Materials Science

Working Paper

Efficient Polymer-Mediated Delivery of Ribonucleoprotein Payloads Through Combinatorial Design & Parallelized Experimentation

Ramya Kumar, Ngoc Le, Zhe Tan, Mary E. Brown, Shan Jiang, Theresa M. Reineke

Version 2 posted 02 November 2020

1,084

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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

741

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Catalysis

Working Paper

Model-Driven Design of Redox Mediators: Quantifying the Impact of Quinone Structure on Bioelectrocatalytic Activity with Glucose Oxidase

Lincoln Mtemeri, David Hickey

Version 1 posted 18 January 2023

169

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Biological and Medicinal Chemistry

Working Paper

Cheminformatics analysis of molecular datasets of transcription factors associated with quorum sensing in Pseudomonas aeruginosa

Felipe Victoria-Muñoz, Norberto Sánchez-Cruz, José L. Medina-Franco, Fabian López-Vallejo

Version 1 posted 28 July 2021

300

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Earth, Space, and Environmental Chemistry

Working Paper

Harnessing Semi-Supervised Machine Learning to Automatically Predict Bioactivities of Per- and Polyfluoroalkyl Substances (PFASs)

Hyuna Kwon, Zulfikhar Ali, Bryan Wong

Version 1 posted 24 August 2022

84

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1

Citations

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

569

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Biological and Medicinal Chemistry

Working Paper

Archaeal glycerolipids are recognized by C-type lectin receptor Mincle

Shiori Oka, Miyuki Watanabe, Emi Ito, Ami Takeyama, Takuro Matsuoka, Norihito Arichi, Hiroaki Ohno, Sho Yamasaki, Shinsuke Inuki

Version 1 posted 02 August 2022

235

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1

Citations

Biological and Medicinal Chemistry

Review

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

883

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Refine Search

16 results in Structure-activity relationships in Keywords: Structure-activity relationships

Epigenetic Target Prediction with Accurate Machine Learning Models

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

Efficient Polymer-Mediated Delivery of Ribonucleoprotein Payloads Through Combinatorial Design & Parallelized Experimentation

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

Model-Driven Design of Redox Mediators: Quantifying the Impact of Quinone Structure on Bioelectrocatalytic Activity with Glucose Oxidase

Cheminformatics analysis of molecular datasets of transcription factors associated with quorum sensing in Pseudomonas aeruginosa

Harnessing Semi-Supervised Machine Learning to Automatically Predict Bioactivities of Per- and Polyfluoroalkyl Substances (PFASs)

Exploring activity landscapes with extended similarity: is Tanimoto enough?

Archaeal glycerolipids are recognized by C-type lectin receptor Mincle

Approaches for enhancing the analysis of chemical space for drug discovery

16 results in Keywords: Structure-activity relationships