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
Environmental Surveillance Protocols for Highly Pathogenic Avian Influenza (HPAI) v2
Environmental Surveillance Protocols for Highly Pathogenic Avian Influenza (HPAI) v2
EnvironmentalSurveillance Protocols for Highly Pathogenic Avian Influenza (HPAI) This comprehensive protocol suite enables systematic environmental surveillance for avian influenza...
Data from Neutralization of KIT Oncogenic Signaling in Leukemia with Antibodies Targeting KIT Membrane Proximal Domain 5
Data from Neutralization of KIT Oncogenic Signaling in Leukemia with Antibodies Targeting KIT Membrane Proximal Domain 5
<div>Abstract<p>KIT is a cell surface tyrosine kinase receptor whose ligand stem cell factor (SCF) triggers homodimerization and activation of downstream effector pathw...
Data from Neutralization of KIT Oncogenic Signaling in Leukemia with Antibodies Targeting KIT Membrane Proximal Domain 5
Data from Neutralization of KIT Oncogenic Signaling in Leukemia with Antibodies Targeting KIT Membrane Proximal Domain 5
<div>Abstract<p>KIT is a cell surface tyrosine kinase receptor whose ligand stem cell factor (SCF) triggers homodimerization and activation of downstream effector pathw...
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...
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...
Membrane‐bound Kit ligand regulates melanocyte adhesion and survival, providing physical interaction with an intraepithelial niche
Membrane‐bound Kit ligand regulates melanocyte adhesion and survival, providing physical interaction with an intraepithelial niche
Morphogenesis, as illustrated by melanocyte migration and homing to the skin, requires cadherin adhesion, integrin‐dependent migration and Kit‐ligand growth factor signaling. Howev...
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 ...
Data from MicroRNA-494 Downregulates KIT and Inhibits Gastrointestinal Stromal Tumor Cell Proliferation
Data from MicroRNA-494 Downregulates KIT and Inhibits Gastrointestinal Stromal Tumor Cell Proliferation
<div>Abstract<p><b>Purpose:</b> Gain-of-function mutations and KIT overexpression are well-known tumorigenesis mechanisms in gastrointestinal stromal tumors...