This figure was created as a visual abstract for the SAMPL6 Part II logP Challenge, which was a blind computational prediction challenge for predicting octanol-water partition coefficients of kinase inhibitor fragment-like small molecules. This figure can possibly be used as a cover art for the special journal issue organized for this challenge
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and t...
Abstract The partition coefficient between octanol and water (logP) has been an important descriptor...
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and t...
This presentation was given at the D3R/SAMPL Workshop 2019 in San Diego, CA on August 22nd, 2019. It...
The Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges focuses the comput...
The SAMPL Challenges aim to focus the biomolecular and physical modeling community on issues that li...
Partition coefficients describe the equilibrium partitioning of a single, defined charge state of a ...
Within the framework of the 6th physical property blind challenge (SAMPL6) the authors have particip...
This presentation was given at the Joint D3R/SAMPL Workshop 2019 in San Diego, CA on August 22nd, 20...
In a collaboration with Prof. Stefan Grimme (Bonn University, Germany) we will submit predicted pKa ...
We have developed a new method, i.e., XLOGP3, for logP computation. XLOGP3 predicts the logP value o...
The Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges focuses the comput...
The logarithm of the octanol/water partition coefficient (logP) is used extensively as an indicator ...
The logarithm of the octanol/water partition coefficient (logP) is used extensively as an indicator ...
The Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges focuses the comput...
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and t...
Abstract The partition coefficient between octanol and water (logP) has been an important descriptor...
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and t...
This presentation was given at the D3R/SAMPL Workshop 2019 in San Diego, CA on August 22nd, 2019. It...
The Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges focuses the comput...
The SAMPL Challenges aim to focus the biomolecular and physical modeling community on issues that li...
Partition coefficients describe the equilibrium partitioning of a single, defined charge state of a ...
Within the framework of the 6th physical property blind challenge (SAMPL6) the authors have particip...
This presentation was given at the Joint D3R/SAMPL Workshop 2019 in San Diego, CA on August 22nd, 20...
In a collaboration with Prof. Stefan Grimme (Bonn University, Germany) we will submit predicted pKa ...
We have developed a new method, i.e., XLOGP3, for logP computation. XLOGP3 predicts the logP value o...
The Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges focuses the comput...
The logarithm of the octanol/water partition coefficient (logP) is used extensively as an indicator ...
The logarithm of the octanol/water partition coefficient (logP) is used extensively as an indicator ...
The Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges focuses the comput...
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and t...
Abstract The partition coefficient between octanol and water (logP) has been an important descriptor...
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and t...