Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Kohulan Rajan"'
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-11 (2024)
Abstract Accurate recognition of hand-drawn chemical structures is crucial for digitising hand-written chemical information in traditional laboratory notebooks or facilitating stylus-based structure entry on tablets or smartphones. However, the inher
Externí odkaz:
https://doaj.org/article/77c177aaf2b045dbaccca5fae3895814
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-11 (2023)
Abstract In recent years, cheminformatics has experienced significant advancements through the development of new open-source software tools based on various cheminformatics programming toolkits. However, adopting these toolkits presents challenges,
Externí odkaz:
https://doaj.org/article/c65dae51fddd4254a09f7863ef9ba27b
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-18 (2023)
Abstract The number of publications describing chemical structures has increased steadily over the last decades. However, the majority of published chemical information is currently not available in machine-readable form in public databases. It remai
Externí odkaz:
https://doaj.org/article/8842925cd3054b7f8e7bd34999bfbca2
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-7 (2022)
Abstract The development of deep learning-based optical chemical structure recognition (OCSR) systems has led to a need for datasets of chemical structure depictions. The diversity of the features in the training data is an important factor for the g
Externí odkaz:
https://doaj.org/article/096de17f9e9246b2b1b5954e329407d5
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-4 (2022)
Abstract The translation of images of chemical structures into machine-readable representations of the depicted molecules is known as optical chemical structure recognition (OCSR). There has been a lot of progress over the last three decades in this
Externí odkaz:
https://doaj.org/article/995414f823a94f8ea5c6c01bd506c97b
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-1 (2023)
Externí odkaz:
https://doaj.org/article/6416f94107114f7e8d4666c45a4c808a
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-16 (2021)
Abstract The amount of data available on chemical structures and their properties has increased steadily over the past decades. In particular, articles published before the mid-1990 are available only in printed or scanned form. The extraction and st
Externí odkaz:
https://doaj.org/article/c7830eb23e624b3a9de9aaf72f75ed14
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-14 (2021)
Abstract Chemical compounds can be identified through a graphical depiction, a suitable string representation, or a chemical name. A universally accepted naming scheme for chemistry was established by the International Union of Pure and Applied Chemi
Externí odkaz:
https://doaj.org/article/047c066be151498aaa46e25b8ed3f0c2
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-9 (2021)
Abstract Chemistry looks back at many decades of publications on chemical compounds, their structures and properties, in scientific articles. Liberating this knowledge (semi-)automatically and making it available to the world in open-access databases
Externí odkaz:
https://doaj.org/article/19f62439eb544a07b3b5faebf5ea6bf7
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-5 (2021)
Abstract The open rich-client Molecule Set Comparator (MSC) application enables a versatile and fast comparison of large molecule sets with a unique inter-set molecule-to-molecule mapping obtained e.g. by molecular-recognition-oriented machine learni
Externí odkaz:
https://doaj.org/article/1dd8d5056ab34e49a712804290661e51