نتایج جستجو برای: computational chemistry

تعداد نتایج: 368436  

Journal: :Machine learning: science and technology 2022

Abstract Transformer models coupled with a simplified molecular line entry system (SMILES) have recently proven to be powerful combination for solving challenges in cheminformatics. These models, however, are often developed specifically single application and can very resource-intensive train. In this work we present the Chemformer model—a Transformer-based model which quickly applied both seq...

Journal: :International Journal of Molecular Biology 2018

Journal: :Journal of the Mass Spectrometry Society of Japan 1999

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