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ORCIDLaura Guasch
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Journal Articles
- 2024
[j7]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): 26 (2024)- 2021
- [j6]Mahendra Awale
, Jérôme Hert, Laura Guasch, Sereina Riniker, Christian Kramer:
The Playbooks of Medicinal Chemistry Design Moves. J. Chem. Inf. Model. 61(2): 729-742 (2021) - 2020
- [j5]Devendra K. Dhaked, Laura Guasch, Marc C. Nicklaus:
Tautomer Database: A Comprehensive Resource for Tautomerism Analyses. J. Chem. Inf. Model. 60(3): 1090-1100 (2020) - 2016
- [j4]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): 2149-2161 (2016) - 2014
- [j3]Laura Guasch, Markus Sitzmann, Marc C. Nicklaus:
Enumeration of Ring-Chain Tautomers Based on SMIRKS Rules. J. Chem. Inf. Model. 54(9): 2423-2432 (2014) - 2012
- [j2]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): 1661-1662 (2012) - 2011
- [j1]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): 717-728 (2011)
Conference and Workshop Papers
- 2018
- [c1]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
Coauthor Index
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