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Inorganic Chemistry

Working Paper

Benzothiazole Carboxylate Diester Bifunctional Chelators for 64Cu PET Imaging in Alzheimer’s Disease

Yujue Wang, Truc T. Huynh, Nilantha Bandara, Hong-Jun Cho, Buck E. Rogers, Liviu M. Mirica

Version 1 posted 11 May 2021

242

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Biological and Medicinal Chemistry

Working Paper

Divalent 2-(4-Hydroxyphenyl)benzothiazole Bifunctional Chelators for 64Cu PET Imaging in Alzheimer’s Disease

Liviu Mirica, Karna Terpstra, Yujue Wang, Truc Huynh, Nilantha Bandara, Hong Jun Cho, Buck Rogers

Version 1 posted 22 August 2022

143

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1

Citations

Biological and Medicinal Chemistry

Working Paper

The Effects on Lipophilicity of Replacing Oxygenated Functionality with Their Fluorinated Bioisosteres

Richard J. Glyn, Graham Pattison

Version 1 posted 13 April 2021

2,467

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Biological and Medicinal Chemistry

Working Paper

Amide-to-ester substitution as a strategy for optimizing PROTAC permeability and cellular activity

Victoria Klein, Adam Bond, Conner Craigon, R. Scott Lokey, Alessio Ciulli

Version 1 posted 05 July 2021

2,285

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2

Citations

Theoretical and Computational Chemistry

Working Paper

On-line OCHEM Multi Task Model for Solubility and Lipophilicity Prediction of Platinum Complexes

Nesma Mousa, Hristo P. Varbanov, Vidya Kaipanchery, Elisabetta Gabano, Mauro Ravera, Andrey A. Toropov, Larisa Charochkina, Filipe Menezes, Guillaume Godin, Igor V. Tetko

Version 1 posted 31 December 2024

127

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Biological and Medicinal Chemistry

Working Paper

LiProS: FAIR simulation workflow to Predict Accurate Lipophilicity Profiles for Small Molecules

Esteban Bertsch-Aguilar, Antonio Piedra, Daniel Acuña, Sebastian Suñer, Sylvana Pinheiro, William J. Zamora Ramírez

Version 2 posted 17 October 2024

171

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Theoretical and Computational Chemistry

Review

Unveiling Drug Discovery Insights through Molecular Electrostatic Potential Analysis

Cherumuttathu Suresh, Mambatta Haritha

Version 1 posted 05 November 2024

195

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Organic Chemistry

Working Paper

Filling the gap in LogP and pK_a evaluation for saturated fluorine-containing derivatives with machine learning

Oleksandr Gurbych, Petro Pavliuk, Dmytro Krasnienkov, Oleksandr Liashuk, Kostiantyn Melnykov, Oleksandr Grygorenko

Version 1 posted 23 July 2024

382

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Organic Chemistry

Working Paper

Bicyclo[m.n.k]alkane Building Blocks as Promising Benzene and Cycloalkane Isosteres: Multigram Synthesis, Physicochemical and Structural Characterization

Volodymyr Semeno, Vadym Vasylchenko, Ihor Fesun, Liudmyla Ruzhylo, Mykhailo Kipriianov, Kostiantyn Melnykov, Artem Skreminskyi, Rustam Iminov, Bohdan Vashchenko, Oleksandr Grygorenko

Version 1 posted 14 November 2023

660

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Theoretical and Computational Chemistry

Working Paper

From Canonical to Unique: Extension of A Lipophilicity Scale of Amino Acids to Non-Standard Residues

Antonio Viayna, Paulina Matamoros, David Blázquez-Ruano, William J. Zamora Ramírez

Version 1 posted 31 January 2024

273

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12 results in Lipophilicity in Keywords: Lipophilicity

Benzothiazole Carboxylate Diester Bifunctional Chelators for 64Cu PET Imaging in Alzheimer’s Disease

Divalent 2-(4-Hydroxyphenyl)benzothiazole Bifunctional Chelators for 64Cu PET Imaging in Alzheimer’s Disease

The Effects on Lipophilicity of Replacing Oxygenated Functionality with Their Fluorinated Bioisosteres

Amide-to-ester substitution as a strategy for optimizing PROTAC permeability and cellular activity

On-line OCHEM Multi Task Model for Solubility and Lipophilicity Prediction of Platinum Complexes

LiProS: FAIR simulation workflow to Predict Accurate Lipophilicity Profiles for Small Molecules

Unveiling Drug Discovery Insights through Molecular Electrostatic Potential Analysis

Filling the gap in LogP and pK_a evaluation for saturated fluorine-containing derivatives with machine learning

Bicyclo[m.n.k]alkane Building Blocks as Promising Benzene and Cycloalkane Isosteres: Multigram Synthesis, Physicochemical and Structural Characterization

From Canonical to Unique: Extension of A Lipophilicity Scale of Amino Acids to Non-Standard Residues

12 results in Keywords: Lipophilicity