Héléna A. Gaspar

发表

Visualization of a Multidimensional Descriptor Space

Igor I. Baskin, Héléna A. Gaspar, A. Varnek, 2016 .

Probabilistic ancestry maps: a method to assess and visualize population substructures in genetics

Héléna A. Gaspar, Gerome Breen, G. Breen, 2018, BMC Bioinformatics.

Stargate GTM: Bridging Descriptor and Activity Spaces

Igor I. Baskin, Gilles Marcou, Alexandre Varnek, 2015, J. Chem. Inf. Model..

Generative Topographic Mapping-Based Classification Models and Their Applicability Domain: Application to the Biopharmaceutics Drug Disposition Classification System (BDDCS)

Alban Arrault, Philippe Vayer, Dragos Horvath, 2013, J. Chem. Inf. Model..

Drug Targetor: a web interface to investigate the human druggome for over 500 phenotypes

Héléna A. Gaspar, Gerome Breen, Christopher Hübel, 2018, Bioinform..

Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds

Dragos Horvath, Gilles Marcou, Alexandre Varnek, 2015, Journal of Computer-Aided Molecular Design.

Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure‐Activity Modeling and Dataset Comparison

Héléna A. Gaspar, N Kireeva, I I Baskin, 2012, Molecular informatics.

Simple Ligand–Receptor Interaction Descriptor (SILIRID) for alignment-free binding site comparison

Gilles Marcou, Alexandre Varnek, Héléna A. Gaspar, 2014, Computational and structural biotechnology journal.

Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge

Héléna A. Gaspar, D. Horvath, A. Varnek, 2015, J. Chem. Inf. Model..

Proteochemometric Models Using Multiple Sequence Alignments and a Subword Segmented Masked Language Model

Marwin H. S. Segler, Héléna A. Gaspar, H. Gaspar, 2021 .

GTM‐Based QSAR Models and Their Applicability Domains

Héléna A. Gaspar, I I Baskin, H A Gaspar, 2015, Molecular informatics.