Predictive software packages to estimate the lipophilicity of molecules have become key tools in the new drug design. Six different well-known computational programs including the classical BioByte-clogP and the GALAS algorithm offered by ACDlabs were evaluated through a set of 103 drugs with different structures and functionalities. To evaluate the predictions accuracy, reliable experimental log Po/w values for the whole testing set were carefully selected. The best estimations are performed by GALAS/logP based on the fragmental method, corrected according to the similarity with compounds included in the software training set
The molecular lipophilicity potential (MLP) is a well-established method to calculate and visualize ...
We have developed a new method, i.e., XLOGP3, for logP computation. XLOGP3 predicts the logP value o...
Peptides are of great therapeutic potential as vaccines and drugs. Knowledge of physicochemical desc...
Predictive software packages to estimate the lipophilicity of molecules have become key tools in the...
The iridium‐catalyzed asymmetric hydrogenation of several N‐sulfonyl allyl amines is reported. All s...
We first review the state-of-the-art in development of logP prediction approaches falling in two maj...
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and t...
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and t...
The logarithm of the octanol/water partition coefficient (logP) is used extensively as an indicator ...
Molecular lipophilicity was studied using salicylamide as a model drug. Log P value for the target c...
This repository archives a high-quality hand-curated lipophilicity dataset that includes the chemica...
In our work, the log P value for 3,3\u27-(2-methoxybenzylidene)bis(4-hydroxycoumarin) (MBbisHC) was ...
In our work, the log P value for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin) (MBbisHC) was exp...
A fast and accurate lipophilicity determination is fundamental in the drug discovery process, as lon...
Lipophilicity, as measured by the partition coefficient between octanol and water (log P), is a key ...
The molecular lipophilicity potential (MLP) is a well-established method to calculate and visualize ...
We have developed a new method, i.e., XLOGP3, for logP computation. XLOGP3 predicts the logP value o...
Peptides are of great therapeutic potential as vaccines and drugs. Knowledge of physicochemical desc...
Predictive software packages to estimate the lipophilicity of molecules have become key tools in the...
The iridium‐catalyzed asymmetric hydrogenation of several N‐sulfonyl allyl amines is reported. All s...
We first review the state-of-the-art in development of logP prediction approaches falling in two maj...
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and t...
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and t...
The logarithm of the octanol/water partition coefficient (logP) is used extensively as an indicator ...
Molecular lipophilicity was studied using salicylamide as a model drug. Log P value for the target c...
This repository archives a high-quality hand-curated lipophilicity dataset that includes the chemica...
In our work, the log P value for 3,3\u27-(2-methoxybenzylidene)bis(4-hydroxycoumarin) (MBbisHC) was ...
In our work, the log P value for 3,3'-(2-methoxybenzylidene)bis(4-hydroxycoumarin) (MBbisHC) was exp...
A fast and accurate lipophilicity determination is fundamental in the drug discovery process, as lon...
Lipophilicity, as measured by the partition coefficient between octanol and water (log P), is a key ...
The molecular lipophilicity potential (MLP) is a well-established method to calculate and visualize ...
We have developed a new method, i.e., XLOGP3, for logP computation. XLOGP3 predicts the logP value o...
Peptides are of great therapeutic potential as vaccines and drugs. Knowledge of physicochemical desc...