Peter Gedeck - RankMe

13 papers Journal 13

Year	Rank	Type	Title / Venue / Authors
2019	J	`jnl`	Capturing mixture composition: an open machine-readable format for representing mixed substances. J. Cheminformatics Alex M. Clark, Leah McEwen, Peter Gedeck, Barry A. Bunin
2019	J	`jnl`	Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines. J. Chem. Inf. Model. Yipin Lu, Shankara Anand, William A. Shirley, Peter Gedeck, Brian P. Kelley, Suzanne Skolnik, Stephane Rodde, Mai Nguyen, Mika K. Lindvall, Weiping Jia
2017	J	`jnl`	Developing Collaborative QSAR Models Without Sharing Structures. J. Chem. Inf. Model. Peter Gedeck, Suzanne Skolnik, Stephane Rodde
2017	J	`jnl`	Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition. J. Chem. Inf. Model. Andreas Verras, Chris L. Waller, Peter Gedeck, Darren V. S. Green, Thierry Kogej, Anandkumar Raichurkar, Manoranjan Panda, Anang A. Shelat, Julie Clark, R. Kiplin Guy, George Papadatos, Jeremy N. Burrows
2015	J	`jnl`	Benefit of Retraining p J. Chem. Inf. Model. Peter Gedeck, Yipin Lu, Suzanne Skolnik, Stephane Rodde, Gavin Dollinger, Weiping Jia, Giuliano Berellini, Riccardo Vianello, Bernard Faller, Franco Lombardo
2015	J	`jnl`	FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists. J. Chem. Inf. Model. Nikolaus Stiefl, Peter Gedeck, Donovan Chin, Peter Hunt, Mika K. Lindvall, Katrin Spiegel, Clayton Springer, Scott Biller, Christoph L. Buenemann, Takanori Kanazawa, Mitsunori Kato, Richard A. Lewis, Eric J. Martin, Valery R. Polyakov, Ruben Tommasi, John H. Van Drie, Brian Vash, Lewis Whitehead, Yongjin Xu, Ruben Abagyan, Eugene Raush, Maxim Totrov
2013	J	`jnl`	Deriving Static Atomic Multipoles from the Electrostatic Potential. J. Chem. Inf. Model. Christian Kramer, Tristan Bereau, Alexander Spinn, Klaus R. Liedl, Peter Gedeck, Markus Meuwly
2012	J	`jnl`	Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence. J. Comput. Chem. Christian Kramer, Peter Gedeck, Markus Meuwly
2011	J	`jnl`	Global Free Energy Scoring Functions Based on Distance-Dependent Atom-Type Pair Descriptors. J. Chem. Inf. Model. Christian Kramer, Peter Gedeck
2011	J	`jnl`	Three Descriptor Model Sets a High Standard for the CSAR-NRC HiQ Benchmark. J. Chem. Inf. Model. Christian Kramer, Peter Gedeck
2010	J	`jnl`	Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets. J. Chem. Inf. Model. Christian Kramer, Peter Gedeck
2006	J	`jnl`	QSAR - How Good Is It in Practice? Comparison of Descriptor Sets on an Unbiased Cross Section of Corporate Data Sets. J. Chem. Inf. Model. Peter Gedeck, Bernhard Rohde, Christian Bartels
2003	J	`jnl`	Calculation of Intersubstituent Similarity Using R-Group Descriptors. J. Chem. Inf. Comput. Sci. John D. Holliday, Stephen P. Jelfs, Peter Willett, Peter Gedeck