1.4 / March 16, 2016
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Description

MetaSite is a computational procedure that predicts metabolictransformations related to cytochrome and flavin-containingmonooxygenase mediated reactions in phase I metabolism. TheMetaSite algorithm is unique in being the only software that is nottraining set dependent, and therefore exhibits improved predictiveperformance for novel pharmaceutical compounds.

App Information Metasite

  • App Name
    Metasite
  • Package Name
    com.moldiscovery.metasite
  • Updated
    March 16, 2016
  • File Size
    16M
  • Requires Android
    Android 2.3 and up
  • Version
    1.4
  • Developer
    Molecular Discovery Ltd.
  • Installs
    100+
  • Price
    Free
  • Category
    Business
  • Developer
  • Google Play Link

Molecular Discovery Ltd. Show More...

MoKa 1.4 APK
Accurate pKa prediction and automaticstructure modification is critical for many computational chemistrymethods which are strongly dependent on the tautomerization andprotonation state of the structures, including docking, bindingaffinity estimation, QSAR and ADME modelling, and metabolismprediction.MoKa implements a novel approach for in-silico computation ofpKa values; trained using a very diverse set of more than 25000 pKavalues, it provides accurate and fast calculations using analgorithm based on descriptors derived from GRID molecularinteraction fields.
Metasite 1.4 APK
MetaSite is a computational procedure that predicts metabolictransformations related to cytochrome and flavin-containingmonooxygenase mediated reactions in phase I metabolism. TheMetaSite algorithm is unique in being the only software that is nottraining set dependent, and therefore exhibits improved predictiveperformance for novel pharmaceutical compounds.
Chemodrome 1.7 APK
Accurate pKa prediction and automaticstructuremodification is critical for many computational chemistrymethodswhich are strongly dependent on the tautomerization andprotonationstate of the structures, including docking, bindingaffinityestimation, QSAR and ADME modelling, andmetabolismprediction.MoKa implements a novel approach for in-silico computation ofpKavalues; trained using a very diverse set of more than 25000pKavalues, it provides accurate and fast calculations usinganalgorithm based on descriptors derived from GRIDmolecularinteraction fields.
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