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cosmoquick software v.2020  (Dassault Systemes)

 
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    Dassault Systemes cosmoquick software v.2020
    Cosmoquick Software V.2020, supplied by Dassault Systemes, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/cosmoquick+software+v%2E2020/cosmoquick+software+v+2020/pmc12100653-169-11-14
    Average 90 stars, based on 1 article reviews
    cosmoquick software v.2020 - by Bioz Stars, 2026-09
    90/100 stars

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    Related Articles

    other:

    Article Title: Discovery of Cilnidipine Cocrystals with Enhanced Dissolution by the Use of Computational Tools and Semiautomatic High-Throughput Screening
    Article Snippet: − The virtual cocrystal screening of cilnidipine was performed using the COSMOquick software v.2020 (Dassault Systèmes/Biovia) on a list of 140 compounds by selecting a 1:1 CILP/coformer stoichiometry.

    Article Title: Exploring the Cocrystal Landscape of Posaconazole by Combining High-Throughput Screening Experimentation with Computational Chemistry.
    Article Snippet: 2023, 23, 842−852 844 The screening function, Fscreen, was introduced to consider floppy and highly flexible molecules, as it was observed experimentally that they penalize cocrystal formation.20,21 F H a n n(max(1, ) max(1, ))screen mix drug coformer= + + (2) The virtual cocrystal screening of posaconazole was performed using COSMOquick software v.2020 (Dassault System̀es Germany GmbH Biovia, Leverkusen, Germany) on the 140 compounds by selecting a 1:1 PSZ−coformer stoichiometry.



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    (a) Schematic representation of the MC approach used to calculate the complementarity score ( C score ) of CILP and coformers. Molecular descriptors representing the shape and polarity of the molecules are employed in the calculation. Cut-off values were determined by Fábián based on a statistical analysis performed on cocrystals contained in the CSD. , (b) Schematic representation of the passing rule used in the default settings of the MC <t>cocrystal</t> screening available in Mercury.
    Cosmoquick Software V.2020, supplied by Accelrys, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    cosmoquick software v.2020  (Dassault Systemes)
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    Dassault Systemes cosmoquick software v.2020
    (a) Schematic representation of the MC approach used to calculate the complementarity score ( C score ) of CILP and coformers. Molecular descriptors representing the shape and polarity of the molecules are employed in the calculation. Cut-off values were determined by Fábián based on a statistical analysis performed on cocrystals contained in the CSD. , (b) Schematic representation of the passing rule used in the default settings of the MC <t>cocrystal</t> screening available in Mercury.
    Cosmoquick Software V.2020, supplied by Dassault Systemes, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/cosmoquick+software+v%2E2020/cosmoquick+software+v+2020/pmc12100653-169-11-14
    Average 90 stars, based on 1 article reviews
    cosmoquick software v.2020 - by Bioz Stars, 2026-09
    90/100 stars
    		  Buy from Supplier

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    (a) Schematic representation of the MC approach used to calculate the complementarity score ( C score ) of CILP and coformers. Molecular descriptors representing the shape and polarity of the molecules are employed in the calculation. Cut-off values were determined by Fábián based on a statistical analysis performed on cocrystals contained in the CSD. , (b) Schematic representation of the passing rule used in the default settings of the MC cocrystal screening available in Mercury.

    Journal: Crystal Growth & Design

    Article Title: Discovery of Cilnidipine Cocrystals with Enhanced Dissolution by the Use of Computational Tools and Semiautomatic High-Throughput Screening

    doi: 10.1021/acs.cgd.5c00184

    Figure Lengend Snippet: (a) Schematic representation of the MC approach used to calculate the complementarity score ( C score ) of CILP and coformers. Molecular descriptors representing the shape and polarity of the molecules are employed in the calculation. Cut-off values were determined by Fábián based on a statistical analysis performed on cocrystals contained in the CSD. , (b) Schematic representation of the passing rule used in the default settings of the MC cocrystal screening available in Mercury.

    Article Snippet: − The virtual cocrystal screening of cilnidipine was performed using the COSMOquick software v.2020 (Dassault Systèmes/Biovia) on a list of 140 compounds by selecting a 1:1 CILP/coformer stoichiometry.

    Techniques:

    (a) Overlay of Raman spectra and (b) overlay of diffraction patterns. From the bottom, p -toluenesulfonamide (yellow), cilnidipine (red), CILP-TSA HTS-1 experimentwell G4 (purple-Raman), CILP-TSA HTS-2 experimentwell F1 (purple-PXRD), and CILP-TSA cocrystal (blue).

    Journal: Crystal Growth & Design

    Article Title: Discovery of Cilnidipine Cocrystals with Enhanced Dissolution by the Use of Computational Tools and Semiautomatic High-Throughput Screening

    doi: 10.1021/acs.cgd.5c00184

    Figure Lengend Snippet: (a) Overlay of Raman spectra and (b) overlay of diffraction patterns. From the bottom, p -toluenesulfonamide (yellow), cilnidipine (red), CILP-TSA HTS-1 experimentwell G4 (purple-Raman), CILP-TSA HTS-2 experimentwell F1 (purple-PXRD), and CILP-TSA cocrystal (blue).

    Article Snippet: − The virtual cocrystal screening of cilnidipine was performed using the COSMOquick software v.2020 (Dassault Systèmes/Biovia) on a list of 140 compounds by selecting a 1:1 CILP/coformer stoichiometry.

    Techniques:

    (a) Left: co-crystal dissolution profile in blank FaSSIF pH 6.5; right: comparison of CILP and TSA bulk concentrations during cocrystal dissolution (note the different scales and units of the vertical axes); (b) left: cocrystal dissolution profile in FaSSIF pH 6.5; right: comparison of CILP and TSA bulk concentrations during cocrystal dissolution. Data are plotted as mean value ( n = 3) ± standard deviation, which is represented by the error bars. The dashed black line represents the solubility of crystalline cilnidipine in the dissolution medium. No change in pH in the media was measured after 24 h.

    Journal: Crystal Growth & Design

    Article Title: Discovery of Cilnidipine Cocrystals with Enhanced Dissolution by the Use of Computational Tools and Semiautomatic High-Throughput Screening

    doi: 10.1021/acs.cgd.5c00184

    Figure Lengend Snippet: (a) Left: co-crystal dissolution profile in blank FaSSIF pH 6.5; right: comparison of CILP and TSA bulk concentrations during cocrystal dissolution (note the different scales and units of the vertical axes); (b) left: cocrystal dissolution profile in FaSSIF pH 6.5; right: comparison of CILP and TSA bulk concentrations during cocrystal dissolution. Data are plotted as mean value ( n = 3) ± standard deviation, which is represented by the error bars. The dashed black line represents the solubility of crystalline cilnidipine in the dissolution medium. No change in pH in the media was measured after 24 h.

    Article Snippet: − The virtual cocrystal screening of cilnidipine was performed using the COSMOquick software v.2020 (Dassault Systèmes/Biovia) on a list of 140 compounds by selecting a 1:1 CILP/coformer stoichiometry.

    Techniques: Dissolution, Comparison, Standard Deviation, Solubility