Laura Guasch

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 5

Top Topics

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

ICLR (Workshop)

Publications

Laura Guasch, Niels Maeder, John G. Cumming, Christian Kramer
From mundane to surprising nonadditivity: drivers and impact on ML models. J. Comput. Aided Mol. Des. 38 (1) (2024)
Mahendra Awale, Jérôme Hert, Laura Guasch, Sereina Riniker, Christian Kramer
The Playbooks of Medicinal Chemistry Design Moves. J. Chem. Inf. Model. 61 (2) (2021)
Devendra K. Dhaked, Laura Guasch, Marc C. Nicklaus
Tautomer Database: A Comprehensive Resource for Tautomerism Analyses. J. Chem. Inf. Model. 60 (3) (2020)
Daniel Neil, Marwin H. S. Segler, Laura Guasch, Mohamed Ahmed, Dean Plumbley, Matthew Sellwood, Nathan Brown
Exploring Deep Recurrent Models with Reinforcement Learning for Molecule Design. ICLR (Workshop) (2018)
Laura Guasch, Waruna Yapamudiyansel, Megan L. Peach, James A. Kelley, Joseph J. Barchi, Marc C. Nicklaus
Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening Samples. J. Chem. Inf. Model. 56 (11) (2016)
Laura Guasch, Markus Sitzmann, Marc C. Nicklaus
Enumeration of Ring-Chain Tautomers Based on SMIRKS Rules. J. Chem. Inf. Model. 54 (9) (2014)
Adrià Cereto-Massagué, Laura Guasch, Cristina Valls, Miquel Mulero, Gerard Pujadas, Santiago Garcia-Vallvé
DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets. Bioinform. 28 (12) (2012)
Laura Guasch, Esther Sala, Cristina Valls, Mayte Blay, Miquel Mulero, Lluís Arola, Gerard Pujadas, Santiago Garcia-Vallvé
Structural insights for the design of new PPARgamma partial agonists with high binding affinity and low transactivation activity. J. Comput. Aided Mol. Des. 25 (8) (2011)