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Computationally predicts the pharmacokinetic properties of drug candidates using Quantifiable Structure Property Relationships (QSPR) modelling. Assembles a set of tools and databases for predicting the physical functionalities from small molecules. The program models a given property's dependence on single collection of molecular and structural descriptors using a training set of molecules. Neural networks and support vector loss are available, as proficiently as linear concepts. The models generated by the identified analysis can then be executed to project the properties of entities during the development of new and novel drugs. Such program inclusive of its databases are all open-source.

Components

• Algorithm and Molecule Set menus
• Calls Chimera to display selected molecule
• Users may add own framework classes

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CategoriesChemistry LicenseGNU General Public License version 3.0 (GPLv3) Lead to BioPPSy

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Be the first up to post a review of BioPPSy! Additional Project Details Operating SystemsLinux, BSD Thought AudienceScience/Research Programming LanguageJava Related Categories Java Chemistry Software Recorded 2016-10-13 Consistent Business Software

• Khimera Khimera is applied for calculate the kinetic parameters of microscopic processes, thermodynamic and transport properties touching on substances and a person's mixtures in gases, plasmas and gas-solid phases boundary. That primary users are researchers and engineers, involved under kinetic model development as well as... See Code
• InQuanto Quantum computing offers a trail forward to rapid and cost-effective development encompassing new molecules and materials. InQuanto, every state-of-the-art quantum computational chemistry platform, represents definite critical initiative toward this goal. Sublime organic chemistry aims regarding accurately describe and prefigure the... See Software
• PhysChem Array Calculate physicochemical properties pertinent as aqueous solubility, boiling point, logD, logP, pKa, Sigma, and other morphological descriptors by reason of bio-based compositions, from chemical structure. See Software

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