Koji Tsuda
Appearances
The FASMIFRA method will be predented: a simple method to generate only valence valid molecules at high frequency given a molecular training set. The proposed method generates diverse SMILES (or DeepSMILES) encoded molecules while also showing some propensity at training set distribution matching…Presenter
Speaker
- The FASMIFRA method will be predented: a simple method to generate only valence valid molecules at high frequency given a molecular training set. The proposed method generates diverse SMILES (or DeepSMILES) encoded molecules while also showing some propensity at training set distribution matching…
Speakers
- : [COMP] Division of Computers in Chemistry
Speakers
Application Scientist, Iktos IncResearch Staff, Oak Ridge National LaboratoryComputational Scientist, Pacific Nortwest National LaboratoryJacob D. Durrant, PhDAssociate Professor, University of PittsburghUniversity of PittsburghMichigan State University - The FASMIFRA method will be predented: a simple method to generate only valence valid molecules at high frequency given a molecular training set. The proposed method generates diverse SMILES (or DeepSMILES) encoded molecules while also showing some propensity at training set distribution matching…
Speakers
- : [COMP] Division of Computers in Chemistry
Speakers
Michigan State UniversityUniversity of PittsburghApplication Scientist, Iktos IncResearch Staff, Oak Ridge National LaboratoryComputational Scientist, Pacific Nortwest National LaboratoryJacob D. Durrant, PhDAssociate Professor, University of Pittsburgh - DateMarch 29, 2023The FASMIFRA method will be predented: a simple method to generate only valence valid molecules at high frequency given a molecular training set. The proposed method generates diverse SMILES (or DeepSMILES) encoded molecules while also showing some propensity at training set distribution matching…
Presenter
Speaker
DateMarch 17, 2024In nanomechanical sensing of odors, the chemical affinity between the sensor surface and the odor sample is utilized. However, developing suitable sensors surface with high affinity for odor sample has required trial and error by experienced researchers…Presenter
DateMarch 19, 2024The creation of new odors by blending existing ones is usually done manually based on the human sense. However, this manual method requires the experimenter to be an experienced researcher and is time consuming. Therefore, there is a growing demand for automated experiments…Presenter
