Search Results for "prediction"
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Showing 14 open source projects for "prediction"
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Save time, money and your sanity. Deluxe Payment Exchange+ (DPX+) is our integrated payments solution that streamlines and automates your accounts payable (AP) disbursements. DPX+ ensures secure payments and offers suppliers alternate ways to receive funds, including mailed checks, ACH, virtual credit cards, debit cards, or eCheck payments. By simply integrating with your existing accounting software like QuickBooks®, you’ll implement efficient payment solutions for AP with ease—without costly development fees or untimely delays.
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The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical validation, quantitation, visualization, and converters from raw MS data to the open mzML/mzXML formats.
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nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. The nmrshiftdb2 software is open source, the data is published under an open content license. The core of nmrshitdb2 are fully assigned spectra with raw data and peak lists (we have pure peak lists as well). Those datasets are peer reviewed by a board...
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Toxtree: Toxic Hazard Estimation
Toxicity prediction for chemical compounds
A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation and Eye irritation prediction -Benigni / Bossa rulebase for mutagenicity and carcinogenicity prediction -START biodegradation and persistence prediction -Skin sensitisation reactivity domain -Kroes TTC Decision tree -SMARTCyp - Cytochrome P450-Mediated Drug... -
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Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.
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CODESOFT is an enterprise-level RFID and barcode label design application offering unmatched flexibility, power, and support. Available in print-only, single-user, and network configurations, CODESOFT is designed to meet all of your barcode labeling needs. Whether your goal is streamlining label printing, printing labels using a form, connecting a scale to your label template, or integrating your business database with your label templates, CODESOFT provides a solution for your organization’s most advanced labeling needs. Connect to SQL or Oracle databases for business system integrations and greater efficiency. CODESOFT includes over 100 barcode symbologies including GS1, supports all common image formats, and enables rich text editing. Native printer drivers are included for over 4,000 thermal, thermal transfer, and inkjet label printers to ensure the best label printing quality.
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VMS Draw
user-friendly access to the latest computational spectroscopy tools
VMS Draw provides general utilities (e.g. normalization, conversion, and other manipulations of several spectra at the same time) and a flexible graphical user interface (GUI) for an easy use by non-specialists which allows a seamless flow of information between experimentally and theoretically oriented researchers. Finally, it permits effective interactions with other electronic structure codes [e.g., nuclear magnetic resonance (NMR), microwave] even if Gaussian 16 offers the widest set... -
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CRP - Chemical Reaction Prediction
Predicting Organic Reactions using Neural Networks.
The intend is to solve the forward-reaction prediction problem, where the reactants are known and the interest is in generating the reaction products using Deep learning. This Graphical User Interface takes simplified molecular-input line-entry system (SMILES) as an input and generates the product SMILE & molecule. Beam search is used in Version 2, to generate top 5 predictions. Maximum input length for the model is 15 (excluding spaces). -
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BioPPSy
A biochemical property prediction system
Computationally predicts the pharmacokinetic properties of drug candidates using Quantitative Structure Property Relationships (QSPR) modelling. Assembles a set of tools and databases for predicting the physical properties of small molecules. The program models a given property's dependence on a collection of molecular and structural descriptors using a training set of molecules. Neural networks and support vector regression are available, as well as linear models. The models generated by... -
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HPLC Retention Predictor
Performs accurate HPLC retention prediction
A Java applet that performs accurate HPLC retention prediction by back-calculating the gradient profile and flow rate actually produced by a user's instrument. -
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LibreAquarium
An aquarium management software with a Simulation Model System
SME LibreAquarium is an Aquarium management system with a Simulation Model Engine (SME) that makes a prediction of the possible measurement values for the different pollutants that affect to these aquatics systems (NO3,PO4, Fe). The simulator consults the recorded analysis to calculate a prediction of the NO3, PO4, Fe, that the these aquatic system produce. It also uses a central (fish, plant and invertebrates) database to check if the actual parameters are Ok, depending on the species... -
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NLOPredict is a nonlinear optical prediction and data analysis tool. Nonlinear optical measurements can yield information about the structure of crystals, and orientation of molecules at surfaces and interfaces.
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Shape is a molecular conformation prediction program. It uses a genetic algorithm to efficiently search the conformational space of a biomolecule and then clusters the results. It is very simple to use.
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Tools to build molecular-docking activity prediction models by PLS regression with iterative training and pose-selection. Descriptors include (i) docking score(s), (ii) pharmacophore features, (iii) multi-feature descriptors learned by decision trees.
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MeltDNA Tool For Prediction of DNA Duplex Hybridization & Melting Thermodynamics (delta G°, delta H° and delta S° ,Tm,Ta Prediction)
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lazar (Lazy Structure-Activity Relationships) is a tool for the prediction of toxic activities of chemical structures.
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