Molecular modeling soon attracted the attention of Medicinal Chemistry researchers, given the importance of molecular structure for understanding the mode of action and for designing bioactive ...

Jointly training seemingly unrelated tasks, such as Molcap and the Quantum Mechanics Property Prediction Task, can also lead to performance improvements for both. DATA_BASE_DIR str Base directory of ...

Abstract: A closed-loop supply chain (CLSC) is a supply chain management system that integrates forward logistics (from production to consumer) and reverse logistics (from consumer back to the ...

1 Department of Computer Science and Engineering, Sungkyunkwan University, Suwon, Republic of Korea 2 Department of Systems Management Engineering, Sungkyunkwan University, Suwon, Republic of Korea ...

Abstract: High-performance molecular property prediction is one of the essential problems in many research fields. Although Deep Learning models (DLMs) have the strong potential to predict molecular ...

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