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pro vyhledávání: '"Fromer, Jenna C."'
Autor:
Fromer, Jenna C., Coley, Connor W.
Small molecules exhibiting desirable property profiles are often discovered through an iterative process of designing, synthesizing, and testing sets of molecules. The selection of molecules to synthesize from all possible candidates is a complex dec
Externí odkaz:
http://arxiv.org/abs/2311.02187
The discovery of therapeutic molecules is fundamentally a multi-objective optimization problem. One formulation of the problem is to identify molecules that simultaneously exhibit strong binding affinity for a target protein, minimal off-target inter
Externí odkaz:
http://arxiv.org/abs/2310.10598
Autor:
Fromer, Jenna C., Coley, Connor W.
Molecular discovery is a multi-objective optimization problem that requires identifying a molecule or set of molecules that balance multiple, often competing, properties. Multi-objective molecular design is commonly addressed by combining properties
Externí odkaz:
http://arxiv.org/abs/2210.07209
Autor:
Lin, Sibo1 sibo.lin@aramcoamericas.com, Fromer, Jenna C.2, Ghosh, Yagnaseni1, Hanna, Brian1, Elanany, Mohamed3, Xu, Wei4
Publikováno v:
Scientific Reports. 2/25/2021, Vol. 11 Issue 1, p1-10. 10p.
Autor:
Fromer JC; Department of Chemical Engineering, MIT, Cambridge, MA, USA., Coley CW; Department of Chemical Engineering, MIT, Cambridge, MA, USA. ccoley@mit.edu.; Department of Electrical Engineering and Computer Science, MIT, Cambridge, MA, USA. ccoley@mit.edu.
Publikováno v:
Nature computational science [Nat Comput Sci] 2024 Jun; Vol. 4 (6), pp. 440-450. Date of Electronic Publication: 2024 Jun 17.