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BioSolveIT - scientific challenge: hall of fame

29/6/2019

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Hall of Fame Winners of the scientific challenges with interesting projects using BioSolveIT - Finest Software for Drug Discovery software solutions like #SeeSAR #HYDE #InfiniSee
Webpage: https://ift.tt/2KLu4iD
Bengaluru: June 29, 2019 at 10:24AM
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Drug Discovery Today: Capturing and Applying Knowledge to Guide Compound Optimisation

29/6/2019

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Optibrium
Drug Discovery Today: Capturing and Applying Knowledge to Guide Compound Optimisation Drug Discovery Today; V24 No.5 May 2019 Matthew Segall, Tamsin Mansley, Peter Hunt, Edmund Champness Successful drug discovery requires knowledge and experience across many disciplines, and no current 'artificial intelligence' (AI) method can replace expert scientists. However, computers can recall more information than any individual or team and facilitate the transfer of knowledge across disciplines. Here, we discuss how knowledge relating to chemistry and the biological and physicochemical properties required for a successful compound can be captured. Furthermore, we illustrate how, by combining and applying this knowledge computationally, a broader range of optimisation strategies can be rigorously explored, and the results presented in an intuitive way for consideration by the experts. #CADD #Drug #Discovery #Zastra #Optibrium #StarDrop
Webpage: https://ift.tt/2RGnb2W
Bengaluru: June 29, 2019 at 10:14AM
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Recorded CDD Webinar: Better Science Through Metadata

29/6/2019

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Metadata can greatly augment scientific data. In practice, we must ensure that metadata capture does not become a burden to the scientist. Collaborative Drug Discovery set out to design a simple, quick, and efficient method of assay metadata management.
CDD's Q2 Scientific Webinar, had our expert panel of scientists, Dr. Ellen Berg (Eurofins and Alto Predict) and Dr. Isabella Feierberg (AstraZeneca) discuss the importance of metadata and their vision for how assay annotation will shape the future of drug discovery. #CDD #ELN #VAULT #CLOUD #Drug #Discovery
Webpage: https://ift.tt/2KLKeIU
Bengaluru: June 29, 2019 at 09:54AM
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New UK Collaborative Uses AI to Predict Missing Data Points in Compound Data

29/6/2019

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Optibrium
AI to Predict Missing Data Points in Compound Data Data where a significant amount of points are missing from the complete sets – or “noisy” data – data where a significant amount of variables could contribute to issues and changes in results – and making predictive models that fill in missing points with degrees of certainty and without having to undergo costly experimentation.
Webpage: https://ift.tt/2RI4yeY
Bengaluru: June 29, 2019 at 09:48AM
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Capturing and Applying Knowledge to Guide Compound Optimisation

29/6/2019

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Optibrium
Capturing and Applying Knowledge to Guide Compound Optimisation Demonstrated how: > Synthetic strategies from previous projects can be applied to generate relevant compound ideas and propose synthetic routes. > SAR and multi-parameter objectives can prioritise ideas for experts’ consideration. > Supplementing scientists’ experience helps to objectively explore new strategies. #Optibrium #StarDrop #MedChem #CADD
Webpage: https://ift.tt/2KJ2Au5
Bengaluru: June 29, 2019 at 09:43AM
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  • Home
  • Products
  • Solutions
    • Case Studies
    • LIMS | ELN >
      • CDD Vault
    • Computational Chemistry >
      • Turbomole
    • Materials Science
    • Purchaseable Compounds >
      • REAL Space Navigator
    • API Co-Crystal Screening >
      • COSMOquick | COSMOtherm
    • Conformational Analysis >
      • COSMOconf
    • P450 | QSAR | ADME | Toxicity >
      • StarDrop | Derek Nexus
    • Metallurgy | Kinetics >
      • MatCalc
    • Chemical Engineering >
      • COSMOtherm
    • Drug Design | Docking >
      • FlexX | SeeSAR | ReCore
    • Statistics
    • Client Publications
  • Research
  • Company
    • About Us
    • Our Team
    • Principal Partners
    • Software Providers >
      • BioSolveIT
      • Collaborative Drug Discovery
      • 3DSBiovia
      • MatCalc
      • Optibirum
    • Career
    • Journal
  • Contact