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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

646

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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

356

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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

157

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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

246

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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

2,414

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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

2,282

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2

Citations

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

237

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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

138

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1

Citations

Organic Chemistry

Working Paper

gem-Difluorinated Saturated O-Heterocycles – Promising Fragments for Bioisosteric Replacements in Drug Discovery

Kostiantyn Melnykov, Oleksandr Liashuk, Serhii Holovach, Valeriia Shatnia, Artur Horbenko, Dmytro Lesyk, Varvara Melnyk, Daniil Skrypnik, Anna Beshtynarska, Petro Borysko, Oleksandr Viniichuk, Oleksandr Grygorenko

Version 1 posted 28 November 2024

474

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Organic Chemistry

Working Paper

Lipophilicity Effects of Monofluorination at the Tertiary Aliphatic Carbon as a Function of alpha-Substituent

Kostiantyn Melnykov, Oleksandr Liashuk, Oleh Smyrnov, Dmytro Lesyk, Yuliia Holota, Petro Borysko, Viktor Yakubovskyi, Oleksandr Grygorenko

Version 1 posted 26 November 2024

156

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11 results in Lipophilicity in Keywords: Lipophilicity

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

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

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

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

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

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

gem-Difluorinated Saturated O-Heterocycles – Promising Fragments for Bioisosteric Replacements in Drug Discovery

Lipophilicity Effects of Monofluorination at the Tertiary Aliphatic Carbon as a Function of alpha-Substituent

11 results in Keywords: Lipophilicity