Laura Guasch

Roche (Switzerland) — Switzerland

Computer Science · Physical Sciences

20h-index1.2kcitations36works7.52yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Computational Drug Discovery Methods(9), Chemical Synthesis and Analysis(7), Peroxisome Proliferator-Activated Receptors(6), NF-κB Signaling Pathways(4), Machine Learning in Materials Science(4)

Publications36 total

Challenges and Prospects of DNA-Encoded Library Data Interpretation
Chemical Reviews·2024· 18 cited
From mundane to surprising nonadditivity: drivers and impact on ML models
Journal of Computer-Aided Molecular Design·2024
sp<sup>3</sup>‐Rich Heterocycle Synthesis on DNA: Application to DNA‐Encoded Library Production
Angewandte Chemie·2024· 3 citedOpen Access
sp<sup>3</sup>‐Rich Heterocycle Synthesis on DNA: Application to DNA‐Encoded Library Production
Angewandte Chemie International Edition·2024· 9 citedOpen Access
Porin-independent accumulation in Pseudomonas enables antibiotic discovery
Nature·2023· 54 citedOpen Access
LipMetE (Lipophilic Metabolism Efficiency) as a Simple Guide for Half-Life and Dosing Regimen Prediction of Oral Drugs
ACS Medicinal Chemistry Letters·2022· 14 citedOpen Access
Augmenting Chemical Space with DNA-encoded Library Technology and Machine Learning
CHIMIA International Journal for Chemistry·2021· 7 citedOpen Access
The Playbooks of Medicinal Chemistry Design Moves
Journal of Chemical Information and Modeling·2021· 25 cited
Tautomer Database: A Comprehensive Resource for Tautomerism Analyses
Journal of Chemical Information and Modeling·2020· 33 citedOpen Access
Tautomer Database: A Comprehensive Resource for Tautomerism Analyses
2019Open Access
Tautomer Database: A Comprehensive Resource for Tautomerism Analyses
2019· 3 citedOpen Access
Epigenetic re-wiring of breast cancer by pharmacological targeting of C-terminal binding protein
Cell Death and Disease·2019· 10 citedOpen Access
Exploring Deep Recurrent Models with Reinforcement Learning for Molecule Design
International Conference on Learning Representations·2018· 75 cited
Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening Samples
Journal of Chemical Information and Modeling·2016· 46 cited
Characterizing the Covalent Targets of a Small Molecule Inhibitor of the Lysine Acetyltransferase P300
ACS Medicinal Chemistry Letters·2015· 71 citedOpen Access
Novel HIV-1 Integrase Inhibitor Development by Virtual Screening Based on QSAR Models
Current Topics in Medicinal Chemistry·2015· 14 cited
Tautomerism of Warfarin: Combined Chemoinformatics, Quantum Chemical, and NMR Investigation
The Journal of Organic Chemistry·2015· 50 citedOpen Access
Metabolic Regulation of Histone Acetyltransferases by Endogenous Acyl-CoA Cofactors
Chemistry & Biology·2015· 69 citedOpen Access
Peroxisome Proliferator-Activated Receptor γ (PPARγ) and Ligand Choreography: Newcomers Take the Stage
Journal of Medicinal Chemistry·2015· 80 citedOpen Access
Enumeration of Ring–Chain Tautomers Based on SMIRKS Rules
Journal of Chemical Information and Modeling·2014· 41 citedOpen Access
page 1 of 2Next →

Frequent Co-authors

Gerard Pujadas(12), Santiago Garcı́a-Vallvé(12), Marc C. Nicklaus(12), Miquel Mulero(11), Esther Sala(10), Cristina Valls(8), Megan L. Peach(4), Montserrat Pinent(3), Anna Ardèvol(3), Mayte Blay(3), Devendra K. Dhaked(3), M. Josepa Salvadó(3), Justyna Iwaszkiewicz(3), Cinta Bladé(3), Vincent Zoete(3), Aurélien Grosdidier(3), Alexey Zakharov(3), Adrià Cereto‐Massagué(2), Lluı́s Arola(2), Alexander W. Sorum(2)