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Abbreviation : CDK
Long Form : Chemistry Development Kit
No. Year Title Co-occurring Abbreviation
2022 Prediction of Collision Cross-Section Values for Extractables and Leachables from Plastic Products. CCS, IMS, SVM
2021 A Comparison of Nine Machine Learning Mutagenicity Models and Their Application for Predicting Pyrrolizidine Alkaloids. ---
2021 Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations. MSC
2019 ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK). FG
2019 MoleGear: A Java-Based Platform for Evolutionary De Novo Molecular Design. EA, HIV-1
2019 MuLiMs-MCoMPAs: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein Descriptors. GUI
2019 When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler? AOs, MDs, SE
2017 Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. ---
2017 The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. ---
10  2015 Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets. ---
11  2014 Efficient ring perception for the Chemistry Development Kit. ---
12  2014 Uniting cheminformatics and chemical theory to predict the intrinsic aqueous solubility of crystalline druglike molecules. DLS-100, QSPR, RMSE
13  2013 Applications of the InChI in cheminformatics with the CDK and Bioclipse. JNI
14  2012 Computational prediction of blood-brain barrier permeability using decision tree induction. ACO, BBB, CCR
15  2012 MolClass: a web portal to interrogate diverse small molecule screen datasets with different computational models. ---
16  2011 New developments on the cheminformatics open workflow environment CDK-Taverna. WEKA
17  2010 CDK-Taverna: an open workflow environment for cheminformatics. ---
18  2010 Prediction of cytochrome P450 isoform responsible for metabolizing a drug molecule. SVM
19  2010 Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity properties. MOE2D, PPV, SMARTS
20  2009 Small Molecule Subgraph Detector (SMSD) toolkit. MCS, SMSD
21  2006 Predicting Caco-2 permeability using support vector machine and chemistry development kit. SVM
22  2006 Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics. ---
23  2003 The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics. ---