Buscar
Mostrando ítems 1-10 de 718
Representation of molecular structures with persistent homology for machine learning applications in chemistry
Machine learning and high-throughput computational screening have been valuable tools in
accelerated first-principles screening for the discovery of the next generation of functionalized molecules and materials. The ...
The Nobel Prize In Chemistry 2016: Molecular Machines
(Soc Brasileira QuimicaSão Paulo, 2017)
MoDeSuS: A machine learning tool for selection of molecular descriptors in qsar studies applied to molecular informatics
(Hindawi Publishing Corporation, 2019-02)
The selection of the most relevant molecular descriptors to describe a target variable in the context of QSAR (Quantitative Structure-Activity Relationship) modelling is a challenging combinatorial optimization problem. ...
The Nobel Prize In Chemistry 2016: Molecular MachinesO Prêmio Nobel De Química Em 2016: Máquinas Moleculares
(Sociedade Brasileira de Quimica, 2017)
O Prêmio Nobel De Química Em 2016: Máquinas MolecularesThe Nobel Prize In Chemistry 2016: Molecular Machines
(Sociedade Brasileira de Química, 2017)
Utilização de máquinas de suporte vetorial para predição de estruturas terciárias de proteínasSupport vector machine for tertiary structure prediction
(Universidade do Vale do Rio do Sinos, 2007-03-08)
The three-dimensional structure of a protein is directly related to its function. Many projects of genetic sequence analysis accumulate a great number of protein sequences whose primary and secondary structures are known. ...
Utilização de máquinas de suporte vetorial para predição de estruturas terciárias de proteínasSupport vector machine for tertiary structure prediction
(Universidade do Vale do Rio do Sinos, 2007-03-08)
The three-dimensional structure of a protein is directly related to its function. Many projects of genetic sequence analysis accumulate a great number of protein sequences whose primary and secondary structures are known. ...
A molecular barcode and web-based data analysis tool to identify imported Plasmodium vivax malaria
(Nature Research, 2022)
Traditionally, patient travel history has been used to distinguish imported from autochthonous malaria cases, but the dormant liver stages of Plasmodium vivax confound this approach. Molecular tools offer an alternative ...