Search engine for discovering works of Art, research articles, and books related to Art and Culture
Javascript must be enabled to continue!
The Chemistry Development Kit in 2024: improving cheminformatics research
View through CrossRef
Cheminformatics is the research field that deals with information about chemical systems. This includes the chemical structure which is used in computational chemistry where quantum chemistry is too complex. The Chemistry Development Kit (CDK) was one of the first Open Science libraries in chemistry, co-founded in The Netherlands. The source code goes as far back as 1997 and has been maintained for more than 25 years. The CDK is used by many tools in drug discovery, computational toxicology, and bioinformatics. This project will develop improvements to the core library and update tools using the CDK to use the latest release.
Title: The Chemistry Development Kit in 2024: improving cheminformatics research
Description:
Cheminformatics is the research field that deals with information about chemical systems.
This includes the chemical structure which is used in computational chemistry where quantum chemistry is too complex.
The Chemistry Development Kit (CDK) was one of the first Open Science libraries in chemistry, co-founded in The Netherlands.
The source code goes as far back as 1997 and has been maintained for more than 25 years.
The CDK is used by many tools in drug discovery, computational toxicology, and bioinformatics.
This project will develop improvements to the core library and update tools using the CDK to use the latest release.
Related Results
Cheminformatics Microservice V-3: A Web Portal for Chemical Structure Manipulation and Analysis
Cheminformatics Microservice V-3: A Web Portal for Chemical Structure Manipulation and Analysis
The widespread adoption of open-source cheminformatics toolkits remains constrained by technical implementation barriers, including complex installation procedures, dependency mana...
CDK-Taverna: an open workflow environment for cheminformatics
CDK-Taverna: an open workflow environment for cheminformatics
AbstractBackgroundSmall molecules are of increasing interest for bioinformatics in areas such as metabolomics and drug discovery. The recent release of large open access chemistry ...
C-Kit Is Essential for Vascular Smooth Muscle Cell Phenotypic Switch In Vitro and In Vivo After Injury
C-Kit Is Essential for Vascular Smooth Muscle Cell Phenotypic Switch In Vitro and In Vivo After Injury
Pathological vascular remodeling—central to restenosis, atherosclerosis, and vasculo-proliferative diseases—depends on the phenotypic switching of vascular smooth muscle cells (VSM...
Abstract 12135: Toll-like Receptor Signalling Mediates C-kit+ Cell Migration
in vivo
Following Ischemia-reperfusion Injury via the Myd88 Pathway
Abstract 12135: Toll-like Receptor Signalling Mediates C-kit+ Cell Migration
in vivo
Following Ischemia-reperfusion Injury via the Myd88 Pathway
Introduction:
Toll-like-receptor (TLR) mediated signalling has been shown to regulate tissue damage following cardiac ischemia-reperfusion (I-R) injury. Whether progeni...
CDK-Taverna an open workflow environment for cheminformatics
CDK-Taverna an open workflow environment for cheminformatics
BackgroundSmall molecules are of increasing interest for bioinformatics in areas such as metabolomics and drug discovery. The recent release of large open access chemistry database...
Abstract 1577: Contributions of KIT and ABL to the therapeutic responses of GIST and CML cells to imatinib mesylate
Abstract 1577: Contributions of KIT and ABL to the therapeutic responses of GIST and CML cells to imatinib mesylate
Abstract
Most GISTs are caused by activating mutations of the KIT receptor tyrosine kinase and can effectively be treated with the small molecule kinase inhibitor im...
Pengaruh Penggunaan KIT IPA terhadap Keterampilan Literasi dan Proses Sains Mahasiswa Pendidikan Guru Sekolah Dasar
Pengaruh Penggunaan KIT IPA terhadap Keterampilan Literasi dan Proses Sains Mahasiswa Pendidikan Guru Sekolah Dasar
Terjadi kesenjangan kompetensi guru sekolah dasar dalam menggunakan Komponen Instrumen Terpadu (KIT) IPA yang mengakibatkan rendahnya efektivitas penggunaan KIT. Kesenjangan terseb...
Urban landscape attributes affect occupancy patterns of the San Joaquin kit fox during an epizootic
Urban landscape attributes affect occupancy patterns of the San Joaquin kit fox during an epizootic
The federally endangered and California state threatened San Joaquin kit fox (Vulpes macrotis mutica) persists in relatively high density in the urban environment of Bakersfield, C...