Francois Berenger
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
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