Search Result "pKa prediction"

Database Mining for pKa Prediction

Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 4 Year: 2005 Page: 221-229
Author(s): Thierry Kogej, Sorel Muresan

Predicting the pKa of Small Molecules

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 5 Year: 2011 Page: 307-327
Author(s): Matthias Rupp, Robert Korner, Igor V. Tetko

Calculation Methods for the Enhancement of Pharmaceutical Properties in Small Molecules: Estimating the Cationic pKa

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4310-4315
Author(s): Ann R. Hermone, Rick Gussio

Scouting Novel Protein Kinase A (PKA) Inhibitors by Using a Consensus Docking-Based Virtual Screening Approach

Journal: Letters in Drug Design & Discovery
Volume: 6 Issue: 5 Year: 2009 Page: 327-336
Author(s): Nicola Zonta, Giorgio Cozza, Alessandra Gianoncelli, Oliver Korb, Thomas E. Exner, Flavio Meggio, Giuseppe Zagotto, Stefano Moro

Using Measured pKa, LogP and Solubility to Investigate Supersaturation and Predict BCS Class

Journal: Current Drug Metabolism
Volume: 9 Issue: 9 Year: 2008 Page: 869-878
Author(s): K. J. Box, J. E.A. Comer

Determining Partition Coefficient (Log P), Distribution Coefficient (Log D) and Ionization Constant (pKa) in Early Drug Discovery

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 6 Year: 2016 Page: 461-469
Author(s): Sonali S. Bharate,Vikas Kumar,Ram A. Vishwakarma

General Research Article

Predicted Contributions of Flavin-containing Monooxygenases to the N-oxygenation of Drug Candidates Based on their Estimated Base Dissociation Constants

Journal: Current Drug Metabolism
Volume: 22 Issue: 3 Year: 2021 Page: 208-214
Author(s): Tomomi Taniguchi-Takizawa,Harutoshi Kato,Makiko Shimizu,Hiroshi Yamazaki

Prediction of Intracellular Localization of Fluorescent Dyes Using QSAR Models

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 5 Year: 2016 Page: 378-383
Author(s): Shohei Uchinomiya,Richard W. Horobin,Enrique Alvarado-Martínez,Eduardo Peña-Cabrera,Young-Tae Chang

Theoretical Property Predictions

Journal: Current Topics in Medicinal Chemistry
Volume: 3 Issue: 1 Year: 2003 Page: 1171-1192
Author(s): David J. Livingstone

Theoretical Property Predictions

Ebook: Young People’s Visions of the World
Volume: 2 Year: 2010
Author(s): David J. Livingston
Doi: 10.2174/97816080520591050201

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