A New Atom-Additive Method for Calculating Partition Coefficients
By Renxiao Wang, Ying Fu, Luhua Lai. 1997
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
- Raimund Mannhold
- Emma L. Schymanski
- Gennadiy Poda
- Christoph Ruttkies
- Gregory Sliwoski
- Sandeepkumar Kothiwale
- J. Sharman
- Claude Ostermann
Citations in the corpus
- Mordred: a molecular descriptor calculator (2018, background): “Many types of molecular descriptors have been developed, such as the number of carbon atoms; molecular weight; predictive values of LogP (XLogP [2], ALogP [3], etc.”
- MetFrag relaunched: incorporating strategies beyond in silico fragmentation (2016, methodology): “By default, the log P is calculated using the XlogP algorithm in the CDK library [36, 48, 49].”
- IUPHAR-DB: new receptors and tools for easy searching and visualization of pharmacological data (2010, methodology): “Various physicochemical properties were calculated using the Chemistry Development Kit (CDK) (11), including the five Lipinski ‘drug-likeness’ measures (12): polar surface area (TPSA) (13), predicted LogP (XLogP) (14), molecular weight, number of hydrogen bond donors and acceptors.”
- Computational Methods in Drug Discovery (2014, methodology): “Wang et al. (1997) developed the very popular additivity method called XLOGP.”
- Calculation of molecular lipophilicity: state of the art and comparison of methods on more than 96000 compounds (2009, methodology): “XLOGP is the only atomadditive method applying corrections.(71,72)”