Search Result "partition the training set"
Comparison of Methods for Sequential Screening of Large Compound Sets
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 9 Issue: 2 Year: 2006 Page: 115-122
Author(s): Paul E. Blower, Kevin P. Cross, Gabriel S. Eichler, Glenn J. Myatt, John N. Weinstein, Chihae Yang
QSAR: An In Silico Approach for Predicting the Partitioning of Pesticides into Breast Milk
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 3 Year: 2013 Page: 223-232
Author(s): Suezana Agatonovic-Kustrin,David W. Morton,D. Celebic
A New Group Contribution Approach to the Calculation of LogP
Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 1 Year: 2005 Page: 3-9
Author(s): Hao Zhu, Aleksander Sedykh, Suman K. Chakravarti, Gilles Klopman
Discriminating Drug-Like Compounds by Partition Trees with Quantum Similarity Indices and Graph Invariants
Journal: Current Pharmaceutical Design
Volume: 22 Issue: 34 Year: 2016 Page: 5179-5195
Author(s): Jesus V. de Julián-Ortiz,Rafael Gozalbes,Emili Besalú
A Review of Methods for Computational Prediction of Blood-Brain Partitioning
Journal: Current Medicinal Chemistry - Central Nervous System Agents
Volume: 5 Issue: 3 Year: 2005 Page: 185-191
Author(s): Yiannis N. Kaznessis
Structural Relationship Study of Octanol-Water Partition Coefficient of Some Sulfa Drugs Using GA-MLR and GA-ANN Methods
Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 3 Year: 2020 Page: 207-221
Author(s): Etratsadat Dadfar,Fatemeh Shafiei,Tahereh M. Isfahani
Predicting S-sulfenylation Sites Using Physicochemical Properties Differences
Journal: Letters in Organic Chemistry
Volume: 14 Issue: 9 Year: 2017 Page: 665-672
Author(s): Guo-Cheng Lei,Jijun Tang,Pu-Feng Du
In Silico ADME Prediction: Data Sets and Models
Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 4 Year: 2005 Page: 365-376
Author(s): Gonzalo Colmenarejo
The Prediction of Human Intestinal Absorption Based on the Molecular Structure
Journal: Current Drug Metabolism
Volume: 15 Issue: 4 Year: 2014 Page: 380-388
Author(s): J. Vicente de Julian-Ortiz,Riccardo Zanni,Maria Galvez-Llompart,Ramon Garcia-Domenech
Improving Synthetic Efficiency Using the Computational Prediction of Biological Activity
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 9 Issue: 2 Year: 2006 Page: 103-113
Author(s): K. C. Brogle, T. Gund, D. J. Kyle