Pieter F. W. Stouten

Publication Activity (10 Years)

Years Active: 1992-2024
Publications (10 Years): 4

Top Topics

Multitask Learning

Machine Learning Models

Gaussian Processes

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

J. Comput. Aided Mol. Des.

Publications

Candida Manelfi, Valerio Tazzari, Filippo Lunghini, Carmen Cerchia, Anna Fava, Alessandro Pedretti, Pieter F. W. Stouten, Giulio Vistoli, Andrea Rosario Beccari
"DompeKeys": a set of novel substructure-based descriptors for efficient chemical space mapping, development and structural interpretation of machine learning models, and indexing of large databases. J. Cheminformatics 16 (1) (2024)
Sohvi Luukkonen, Erik Meijer, Giovanni Tricarico, Johan Hofmans, Pieter F. W. Stouten, Gerard J. P. van Westen, Eelke B. Lenselink
Large-Scale Modeling of Sparse Protein Kinase Activity Data. J. Chem. Inf. Model. 63 (12) (2023)
Eelke B. Lenselink, Pieter F. W. Stouten
Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge. J. Comput. Aided Mol. Des. 35 (8) (2021)
Denis Bucher, Pieter F. W. Stouten, Nicolas Triballeau
Shedding Light on Important Waters for Drug Design: Simulations versus Grid-Based Methods. J. Chem. Inf. Model. 58 (3) (2018)
Cornel Catana, Pieter F. W. Stouten
Novel, Customizable Scoring Functions, Parameterized Using N-PLS, for Structure-Based Drug Discovery. J. Chem. Inf. Model. 47 (1) (2007)
Cornel Catana, Hua Gao, Christian Orrenius, Pieter F. W. Stouten
Linear and Nonlinear Methods in Modeling the Aqueous Solubility of Organic Compounds. J. Chem. Inf. Model. 45 (1) (2005)
Karen A. Rossi, Jay A. Markwalder, Steven P. Seitz, Chong-Hwan Chang, Sarah Cox, Michael D. Boisclair, Leonardo Brizuela, Stephen L. Brenner, Pieter F. W. Stouten
Understanding and modulating cyclin-dependent kinase inhibitor specificity: molecular modeling and biochemical evaluation of pyrazolopyrimidinones as CDK2/cyclin A and CDK4/cyclin D1 inhibitors. J. Comput. Aided Mol. Des. 19 (2) (2005)
Romano T. Kroemer, Anna Vulpetti, Joseph J. McDonald, Douglas C. Rohrer, Jean-Yves Trosset, Fabrizio Giordanetto, Simona Cotesta, Colin McMartin, Mats Kihlén, Pieter F. W. Stouten
Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations. J. Chem. Inf. Model. 44 (3) (2004)
Fabrizio Giordanetto, Simona Cotesta, Cornel Catana, Jean-Yves Trosset, Anna Vulpetti, Pieter F. W. Stouten, Romano T. Kroemer
Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms. J. Chem. Inf. Model. 44 (3) (2004)
Lu Wang, Yong Duan, Pieter F. W. Stouten, George V. De Lucca, Ronald M. Klabe, Peter A. Kollman
Does a diol cyclic urea inhibitor of HIV-1 protease bind tighter than its corresponding alcohol form? A study by free energy perturbation and continuum electrostatics calculations. J. Comput. Aided Mol. Des. 15 (2) (2001)
G. Patrick Brady Jr., Pieter F. W. Stouten
Fast prediction and visualization of protein binding pockets with PASS. J. Comput. Aided Mol. Des. 14 (4) (2000)
Brock A. Luty, Zelda R. Wasserman, Pieter F. W. Stouten, C. Nicholas Hodge, Martin Zacharias, James Andrew McCammon
A Molecular Mechanics/Grid Method for Evaluation of Ligand-Receptor Interactions. J. Comput. Chem. 16 (4) (1995)
Chris Sander, Reinhard Schneider, Pieter F. W. Stouten
The Human Genome and High Performance Computing in Molecular Biology. Supercomputer (1992)