Search Results - "Fromer, Jenna" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Computer-aided multi-objective optimization in small molecule discovery

Computer-aided multi-objective optimization in small molecule discovery

by Fromer, Jenna C., Coley, Connor W.
Published in Patterns (New York, N.Y.) (10.02.2023)

Get full text

Journal Article

Computer-assisted catalyst development via automated modelling of conformationally complex molecules: application to diphosphinoamine ligands

Computer-assisted catalyst development via automated modelling of conformationally complex molecules: application to diphosphinoamine ligands

by Lin, Sibo, Fromer, Jenna C., Ghosh, Yagnaseni, Hanna, Brian, Elanany, Mohamed, Xu, Wei
Published in Scientific reports (25.02.2021)

Get full text

Journal Article

An algorithmic framework for synthetic cost-aware decision making in molecular design

An algorithmic framework for synthetic cost-aware decision making in molecular design

by Fromer, Jenna C, Coley, Connor W
Published in Nature Computational Science (01.06.2024)

Get more information

Journal Article

Pareto optimization to accelerate multi-objective virtual screening

Pareto optimization to accelerate multi-objective virtual screening

by Fromer, Jenna C, Graff, David E, Coley, Connor W
Published in Digital discovery (13.03.2024)

Get full text

Journal Article

Toward the Identification of Stoichiometric Models for Complex Reaction Mixtures

Toward the Identification of Stoichiometric Models for Complex Reaction Mixtures

by Fromer, Jenna, Georgakis, Christos, Mustakis, Jason
Published in Industrial & engineering chemistry research (08.02.2023)

Get full text

Journal Article

An algorithmic framework for synthetic cost-aware decision making in molecular design

An algorithmic framework for synthetic cost-aware decision making in molecular design

by Fromer, Jenna C, Coley, Connor W
Year of Publication 03.11.2023

Get full text

Journal Article

Computer-Aided Multi-Objective Optimization in Small Molecule Discovery

Computer-Aided Multi-Objective Optimization in Small Molecule Discovery

by Fromer, Jenna C, Coley, Connor W
Published in arXiv.org (13.10.2022)

Get full text

Paper Journal Article

Pareto Optimization to Accelerate Multi-Objective Virtual Screening

Pareto Optimization to Accelerate Multi-Objective Virtual Screening

by Fromer, Jenna C, Graff, David E, Coley, Connor W
Year of Publication 16.10.2023

Get full text

Journal Article

Batched Bayesian optimization with correlated candidate uncertainties

Batched Bayesian optimization with correlated candidate uncertainties

by Fromer, Jenna, Wang, Runzhong, Manjrekar, Mrunali, Tripp, Austin, Hernández-Lobato, José Miguel, Coley, Connor W
Year of Publication 08.10.2024

Get full text

Journal Article

An algorithmic framework for synthetic cost-aware decision making in molecular design

An algorithmic framework for synthetic cost-aware decision making in molecular design

by Fromer, Jenna C, Coley, Connor W
Published in arXiv.org (13.11.2023)

Get full text

Paper

Pareto Optimization to Accelerate Multi-Objective Virtual Screening

Pareto Optimization to Accelerate Multi-Objective Virtual Screening

by Fromer, Jenna C, Graff, David E, Coley, Connor W
Published in arXiv.org (16.10.2023)

Get full text

Paper

Batched Bayesian optimization with correlated candidate uncertainties

Batched Bayesian optimization with correlated candidate uncertainties

by Fromer, Jenna, Wang, Runzhong, Manjrekar, Mrunali, Tripp, Austin, José Miguel Hernández-Lobato, Coley, Connor W
Published in arXiv.org (08.10.2024)

Get full text

Paper