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QSPR/QSAR Analysis Using SMILES and Quasi-SMILES

This contributed volume overviews recently presented approaches for carrying out QSPR/QSAR analysis by using a simplifying molecular input-line entry system (SMILES) to represent the molecular structure. In contrast to traditional SMILES, quasi-SMILES is a sequence of special symbols-codes that refl...

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Соавтор:	SpringerLink (Online service)
Другие авторы:	Toropova, Alla P. (Редактор), Toropov, Andrey A. (Редактор)
Формат:	Электронный ресурс eКнига
Язык:	английский
Опубликовано:	Cham : Springer International Publishing : Imprint: Springer, 2023.
Редактирование:	1st ed. 2023.
Серии:	Challenges and Advances in Computational Chemistry and Physics, 33
Предметы:	Chemistry > Data processing. Quantum physics. Computer simulation. Chemistry, Physical and theoretical. Model theory. Computational Chemistry. Quantum Simulations. Theoretical Chemistry. Model Theory.
Online-ссылка:	https://doi.org/10.1007/978-3-031-28401-4
Метки:	Добавить метку Нет меток, Требуется 1-ая метка записи!

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