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3rd party publications about products of Molecular Networks GmbH and Altamira LLC

A fast ab initio predictor tool for covalent reactivity estimation of acrylamides

Thu, 06/27/2019 - 11:00
... Starting from the 3D compound configuration generated with CORINA ...

Application of Computational Methods for the Safety Assessment of Food Ingredients

Tue, 05/21/2019 - 11:00
... Software packages under the RCAs include ... and MN/AM ChemTunes ...

Synthesis, computational and biological study of pyrazole derivatives

Thu, 05/16/2019 - 11:02
... low-energy three-dimensional conformations were generated with CORINA ...

3D-QSAR, Docking, ADME/Tox studies on Flavone analogs reveal anticancer activity through Tankyrase inhibition

Mon, 04/01/2019 - 11:00
... the synthetic accessibility was measured using the SYLVIA-XT 1.4 module ...

Mapping the Azolog Space Enables the Optical Control of New Biological Targets

Wed, 03/13/2019 - 11:02
... 3D coordinates ... were either extracted from the databases ... or calculated with the 3D structure generator CORINA ...

How to Prepare a Compound Collection Prior to Virtual Screening

Sat, 03/09/2019 - 11:00
... require a separate 3D conversion step ..., eg, using CORINA ...

A Quantum-Inspired Method for Three-Dimensional Ligand-Based Virtual Screening

Mon, 01/28/2019 - 11:00
... coordinates for each structure initially using CORINA ...

Identification of enzyme(s) capable of degrading endosulfan and endosulfan sulfate using in silico techniques

Fri, 01/04/2019 - 11:00
... and their three-dimensional structures were generated using CORINA ...

SAR study on inhibitors of GIIA secreted phospholipase A2 using machine learning methods

Sun, 12/23/2018 - 11:00
... The molecules were represented by CORINA descriptors ...

Drug target prediction using chem- and bioinformatics

Sat, 11/24/2018 - 11:00
... Different programs, e.g. Corina ...

MetScore: Site of Metabolism Prediction Beyond CYP P450 Enzymes

Wed, 09/05/2018 - 11:00
... For all molecules, single 3D conformers were created with CORINA ...

Comparative analysis of machine learning based QSAR models and molecular docking studies to screen potential anti-tubercular inhibitors against InhA of mycobacterium tuberculosis

Fri, 08/31/2018 - 11:00
... the datasets were subjected to Corina software for conversion of SMILE format into 3D SDF format ...

In silico identification of inhibitors against Plasmodium falciparum histone deacetylase 1 (PfHDAC-1)

Tue, 08/14/2018 - 11:00
... These chemical libraries were first processed using CORINA v2.64 software package ...

Novel inhibitors of As(III) S-adenosylmethionine methyltransferase (AS3MT) identified by virtual screening

Tue, 08/14/2018 - 11:00
...The Corina program ... was then used to generate 3D conformations for these standardized ...

(Q)SAR Methods for Predicting Genotoxicity and Carcinogenicity: Scientific Rationale and Regulatory Frameworks

Sat, 06/23/2018 - 11:00
... ChemTunes ToxGPS (Altamira LLC and Molecular Networks GmbH) ...

Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS Assays

Wed, 04/18/2018 - 11:00
... structures were obtained using CORINA ...

Comparing the performance of meta-classifiers - a case study on selected imbalanced data sets relevant for prediction of liver toxicity

Fri, 04/06/2018 - 11:00
... 3D structures were then generated using CORINA (version 3.4) ...

Virtual screening, Docking, ADMET and System Pharmacology studies on Garcinia caged Xanthone derivatives for Anticancer activity

Tue, 04/03/2018 - 11:00
... the synthetic accessibility was measured ... by using the SYLVIA-XT 1.4 ...

Novel carbamate derivatives as selective butyrylcholinesterase inhibitors

Sat, 03/03/2018 - 11:00
... All compounds used in docking were converted from 2D to 3D using Corina ...