Publications

3 results at Journal of Cheminformatics

How to build machine learning models able to extrapolate from standard to modified peptides
- - Raúl Fernández Díaz
  - Rodrigo Ochoa
  - et al.
- 2025
- Journal of Cheminformatics
HTA - An open-source software for assigning head and tail positions to monomer SMILES in polymerization reactions
- - Brenda de Souza Ferrari
  - Ronaldo Giro
  - et al.
- 2025
- Journal of Cheminformatics
Subgrapher: visual fingerprinting of chemical structures
- - Lucas Morin
  - Gerhard Ingmar Meijer
  - et al.
- 2025
- Journal of Cheminformatics