Alternatives to ChemDraw

SYNTHIA™ Retrosynthesis software, developed by computer scientists and coded by chemists, allows scientists to quickly and easily navigate novel and innovative pathways for novel and previously published target molecules. You can quickly and efficiently scan hundreds pathways to identify the best options for your needs. Discover the most cost-effective route to your target molecule with the latest visualization and filtering features. You can easily customize the search parameters to eliminate or highlight reactions, reagents, or classes of molecules. Explore innovative and unique syntheses to build your desired molecule. Easy to generate a list for starting materials that are commercially available for your synthesis. ISO/IEC 27001 Information Security Certification will guarantee the confidentiality, integrity and protection of your data.

All-in-One LIMS, ELN, QMS, and DMS Platform Xybion LIMS is an all-inclusive Digital Laboratory system including LIMS, ELN, QMS, and DMS that creates optimized workflows for the unique business needs of all regulated laboratories including research, diagnostics, quality control, stability studies, and more. Xybion LIMS instills consistency, improves data quality, and supports regulatory compliance with a complete laboratory management solution that connects with your operating systems with powerful laboratory information management and analytics.

ChemOffice improves scientists' productivity and helps them do better research by allowing them to organize and explore chemical reactions and their properties. This allows them to turn data into actionable information and make more confident decisions. ChemDraw Excel adds chemical intelligence to Excel spreadsheets. Chemists can use Excel's sorting, organization and analysis tools to further manipulate and enrich sets and data as well as explore structure-activity relationships. Chem3D creates 3D models that allow chemists to view their compounds in three dimensions. This allows them to evaluate shape and properties to maximize specificity or activity. ChemFinder is a chemically-intelligent personal database system that scientists use to organize their compounds and to search for and correlate structures with properties.

A platform that connects scientific reasoning, compound design, computational resources, and other relevant information. The Design Hub by Chemaxon for medicinal chemistry, from analysis to prioritization. One platform to design compounds and manage ideas. One platform that links scientific rationale, compound design, computational resources, and other information. You can switch from PowerPoint files to graphical or chemically searchable hypotheses, which are integral parts of compound design. You can easily work in a rich visual environment with your trusted physchem properties, computational models or novelty issues. This secure online service allows you to involve your CROs in compound progression. Analyze the evidence from biological assays and experimental structural information to extract SAR and create new hypotheses for each optimization iteration. Your scientific hypotheses can be stored in a "designer’s ELN" (chemically-aware drawing canvases).

Chemical Computing Group (CCG), has a strong reputation in collaborative scientific support. Our team of PhD-level scientists has offices in North America and Europe. They work closely with clients to provide support, hands-on training, and scientific advice on a wide variety of projects. CCG continues to develop new technologies through its team of scientists, mathematicians and software engineers as well as scientific collaborations with customers.

Our web-based chemistry editor makes it easy to create and publish chemical structures. Marvin Pro is a drawing program that combines our chemically intelligent technology and a simple user interface. Researchers, students, and chemists can quickly convert their thoughts into high quality visual representations. Marvin Pro can handle a large number objects, chemical structures, arrows or texts on a single canvas and align them with precision. Chemical editors don't have to be difficult. Our intuitive solution will allow you to transform your chemical structure ideas into clear visuals. Your research should be reflected in the quality of your chemical drawings. Marvin Pro lets you create high-quality visuals you can present to your workplace. Marvin Pro can be your extension. You can add pre-defined labels or templates, color your structures, and insert photos from external sources. The structure's formula can be displayed.

VeraChem LLC was established in 2000 to advance computer-aided drug discovery. These methods are implemented in high-performance software and provide comprehensive support to users. This is a key strategy of VeraChem LLC for product development. Current VeraChem software capabilities include host-guest and protein-ligand binding affinity prediction, fast calculation and computation of partial atomic charges for druglike compounds, computation and force of energies and forces using all the most commonly used empirical force field, automatic generation and generation of alternate resonance forms for drug-like substances, conformational search using the powerful Tork algorithm and automatic detection and removal of topological and 3D-molecular symmetries. VeraChem's software packages were built from a modular code base.

Advanced molecular modeling can transform drug discovery and materials research. Our physics-based computational platform combines differentiated solutions for predictive modelling, data analytics, collaboration, and collaboration to allow rapid exploration of chemical space. Our platform is used by industry leaders around the world for drug discovery and materials science in fields such as aerospace, energy, semiconductors and electronics displays. The platform powers our drug discovery efforts, from target identification through hit discovery to lead optimization. It also powers our research collaborations to create novel medicines for critical public healthcare needs. Our team includes more than 150 Ph.D. scientists. This allows us to invest heavily in R&D.

ChemDoodle 2D has thousands of chemistry features that will help you create the best graphics possible and save you hours of work. ChemDoodle 2D graphics are carefully reviewed by us. The software automatically places attributes in the best places, orients bonds in the right directions, merges bonds strokes together, and makes smart decisions that result in beautiful and appealing images. You can always modify the software to your liking. Each component of the graphic can be customized to your liking. You can control the shape transparency and color, as well as bond widths and arrowhead sizes. ChemDoodle's drawing controls allow you to clearly model the atoms, bonds and arrowheads they manage. You are provided with ample visual feedback. You can also customize the drawing tools to suit your preferences, including accessibility considerations.

The biopharmaceutical market is complex today. There are growing demands for better specificity and safety, new treatment classes, and more complex mechanisms of disease. To keep up with this complexity, we need to have a better understanding of therapeutic behavior. Simulation and modeling provide unique opportunities to explore biological and physical processes down to the atomic levels. This can be used to guide physical experimentation and accelerate the discovery and development process. BIOVIA Discovery Studio brings together more than 30 years of peer reviewed research and world-class in-silico techniques like molecular mechanics and free energy calculations. It also allows for biotherapeutics developmentability and other related topics into one environment. It gives researchers a complete toolkit to explore the nuances in protein chemistry and to catalyze the discovery of small and big molecule therapeutics, from Target ID to Lead Optimizement.

MolPad integrates a interactive chemistry sketcher in any online learning platform. Open questions about molecular structure, organic chemistry, and other topics can be created that go beyond recognizing the correct answer. MolPad is a low-code environment that allows for dynamic content creation and smart assessment. It can enrich online chemistry education. We have created several solutions to enable students to practice chemical naming, functional group, and Lewis structures in a digital setting. Smart feedback that is based on specific errors can give students more insight than multiple choice questions.

Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making. More than 2 million scientists and 10,000 customers trust Dotmatics to accelerate research and help make the world a healthier, cleaner, and safer place to live.

Comprehensive molecular structure drawing. Draw chemical structures and communicate your science.

BIOVIA solutions provide a unique scientific management environment that enables science-based organizations to create and connect biological and chemical innovations that will improve our lives. The BIOVIA portfolio, which is a leader in the industry, focuses on integrating science, experimental processes, and information requirements from all aspects of research, development, quality control, and manufacturing. Capabilities in the areas of Scientific Informatics and Molecular Modeling/Simulation Data Science, Laboratory Informatics Formulation Design, BioPharma Quality & Compliance, Manufacturing Analytics, and Laboratory Informatics. BIOVIA is committed in accelerating innovation, improving productivity, quality and compliance, reducing cost, and accelerating product development for customers across multiple industries. Connect scientific innovation processes and information throughout the product lifecycle.

Avogadro, an advanced molecule editor/visualizer, is designed for cross-platform usage in computational chemistry and molecular modeling. It provides high-quality rendering and a powerful plugin structure. Avogadro, a free and open-source molecular editor/visualization tool, is available for Mac, Windows, and Linux. It can be used in computational chemistry and molecular modeling as well as materials science and other related areas. It provides flexible, high-quality rendering and a powerful plugin structure.

PyMOL is a user-sponsored molecular visualization system on an open-source foundation. It is maintained and distributed by Schrodinger. The PyQt interface replaces MacPyMOL and Tcl/Tk on all platforms. Support for custom scripting and third-party plugins is better. Comprehensive software package for animating and rendering 3D structures. A plug-in to embed 3D animations and images into PowerPoint presentations. PyMOL is a commercial product. However, most of the source code is freely available under a permissive licence. Schrodinger maintains the open-source project and all PyMOL license holders pay for its funding. Open access incentive executables. Liberal evaluation policy. Improved fuse command (disallows Hypervalent bonds, substitutes monovalent Atoms instead of attaching them to them). Properties inspector now supports unsetting settings using the "delete key". Fix workspace disappearing at specific resolutions

MoluCAD is a fully-featured molecular modelling and visualization tool for Windows. It is the product of a three-year National Institutes of Health research project in biomedical technology that aimed to produce low-cost educational software for students of chemistry. This latest version includes many advanced features that are only available in expensive workstation-based modeling programs. MoluCAD's trademarks are ease-of-use, high-quality graphics, and computational reliability. Users can quickly create models, view them from any perspective, create reaction animations and save all data to disk.

We are a biotechnology company in clinical stage. We decode biology by integrating technological innovations across biology and chemistry to industrialize drug discovery. CRISPR genome editing and synthetic Biology allow for greater control over biology. Advanced robotics allows for reliable automation of complex laboratory research on an unprecedented scale. Neural network architectures allow for iterative analysis and inference from large, complex, in-house data sets. Cloud solutions increase the flexibility of high-performance computation. To build a next-generation biopharmaceutical business, we are using new technology to create virtuous learning cycles around datasets. A synchronized combination hardware, software, and data that is used to industrialize drug discovery. Redefining the traditional drug discovery process. One of the most extensive, broadest, and deepest pipelines in any technology-enabled drug company.

ArgusLab is a program that allows you to molecular model, graphically, and design drugs for Windows operating systems. Although it is becoming a little outdated, it remains very popular. There have been more than 20,000 downloads to date. ArgusLab can be downloaded for free. You don't have to sign anything. If you're teaching a class in which ArgusLab might be useful, you can print as many copies as necessary. You cannot redistribute ArgusLab to other websites or sources. You may link to this website on your own websites, however. ArgusLab is being port to the iPad in a low-key effort. I have also worked with Qt cross-platform development environment to support Mac, Linux, and PC.

BioNeMo, an AI-powered cloud service for drug discovery and framework, is built on NVIDIA NeMo Megatron. It is used to train and deploy large biomolecular Transformer AI models at supercomputing scale. The service provides pre-trained large language models (LLMs), native support for common file types for proteins, DNA, and chemistry, as well as data loaders for SMILES molecular structures and FASTA amino acid and nucleotide sequencings. You can also download the BioNeMo framework to run on your own infrastructure. ESM-1, which is based on Meta AI’s state-of the-art ESM-1b and ProtT5 respectively, are transformer-based protein-language models that can be used for learning embeddings for tasks such as property prediction and protein structure. BioNeMo will offer OpenFold, a deep-learning model for 3D structure prediction and novel protein sequences.

ChemInventory allows you to organize your laboratory's chemical inventory. This will reduce the time that your group members spend searching for compounds and allow them to get on with their work. ChemInventory, a cloud-based software that secures your lab's chemical stock, allows you to manage it. Your research group members and you can instantly search for compounds by name or CAS registry number. You can also search by structure or any other custom field. Search results will include information about chemical structures as well as other relevant information.

FCS Express™ gets you from raw data to easily-understandable, beautifully formatted, presentation-ready results more easily and in less time than any other flow cytometry software. You've probably had to copy and paste data tables into another software to make your data more understandable and visually appealing. You've probably had to manage your data in multiple software packages, such as Microsoft Excel™, GraphPad Prism™, or Microsoft Excel™. It was difficult to find everything you needed in one program. Learning flow cytometry software shouldn't be a barrier to getting the best results from your data. FCS Express is designed to look and feel like familiar Microsoft Office™, so you can already be an expert before you even start.

Scitara DLX™ provides a fast connectivity infrastructure for any instrument used in life science laboratories. It is fully compliant and auditable, and can be accessed from any cloud-based platform. Scitara™, a universal digital data network, connects all instruments, resources, apps, and software within the laboratory. The cloud-based platform, which is fully auditable, connects all data sources in the lab, allowing data to flow freely across multiple endpoints. Scientists can now spend their time on scientific research and not waste it trying to solve data problems. DLX corrects and curates flight data to support the creation of precise, structured data models that feed AI/ML systems. This supports a successful digital transformation strategy for the pharma and biopharma sectors. The ability to access scientific data allows for faster decision-making and drug discovery, which helps bring drugs to market quicker.

Use AI to accelerate the journey from bench-research and laboratory insights to life-changing therapies. Reduce your reading time to minutes and gain up to 90% more research productivity. With a high-precision and high-accuracy research, you can cut through the noise to navigate the ever-growing amount of scientific literature. Save time, reduce bias, and increase the odds of discovering novel things. Explore disease biology in depth and discover advanced targets. Causaly’s high-precision graph of knowledge consolidates evidence from millions publications, allowing for unbiased, deep scientific exploration. You can navigate cause-and effect relationships in biology without being an expert. Discover hidden connections by viewing all scientific documents. Causaly’s powerful AI machine is able to read millions of published biomedical publications in order to support better research and decision-making.

To drive precision medicine programs that work, pharmaceutical companies require comprehensive genomic information. However, decisions are often made with only 10% of the data available. Genomenon provides 100% of the data. ProdigyTM Patient Landscapes are a cost-effective and efficient natural history research solution for pharmaceuticals. They enhance insights from retrospective and prospective health data to support the development rare disease therapies. Genomenon uses an AI-driven approach to deliver a thorough and expert assessment of all patients in the medical literature in a fraction time. Get a complete overview of every genomic biomarker in the medical literature. Every scientific assertion is supported with empirical evidence from medical literature. Identify all genetic drivers and determine which variants are pathogenic according ACMG clinical standards.

DNAnexus Apollo™, accelerates precision drug discovery through collaboration that draws critical insights from omics data. Precision drug discovery requires the collection and analysis of large volumes of clinical and omics data. These data sets are extremely rich, but many legacy and home-grown informatics tools cannot handle their complexity and size. Silos, insufficient collaboration tools, and complex regulatory and security requirements can all hinder precision medicine programs. DNAnexus Apollo™, which supports precision drug discovery programs, empowers scientists and clinicians to analyze and explore omics and clinical data in a single environment built on a robust and scalable cloud platform. Apollo allows them to share data, tools and analyses securely with peers and colleagues from all over the world, regardless of whether they are on another floor or another continent.

Chemia is a browser-based & cloud-ready ELN platform. Chemia was designed, developed and architected by scientists. It is a platform that allows you to manage, assign, monitor, and track all R&D activities. It allows you to automate your R&D setup and makes it paperless. It saves time (approx. It saves time (approx. 1 hour per scientist) through Cross-functional collaboration. This makes it audit-ready and helps you manage data effectively. Fast retrieval, search, comparative studies, and reconfigurability allow for faster and more appropriate decisions. A system for managing inventory and scheduling information for chemicals and equipment within a laboratory. A system that tracks equipment usage, maintenance logs, and calibration logs. This is essential for efficient lab management and effective working. A system that provides the protocol, and ensures compliance.

AIDDISON™, a drug discovery software, combines the power and efficiency of artificial intelligence (AI), computer-aided design (CADD), and machine learning (ML) to provide a valuable toolkit that can be used for medicinal chemistry. It is a unified platform that integrates all aspects of virtual screening, including ligand-based design and structure-based design. It also supports methods for in silico lead optimization and discovery.

Makya is a user-friendly SaaS-based platform for AI-driven drug design focusing on Multi-Parametric Optimization. It allows the design of novel compounds that are easy to make in accordance with a multiobjective blueprint at unprecedented speeds, performance and diversity. Makya has multiple generative algorithms that cover different use cases, from hit discovery to lead optimizing: fine-tuning to find optimal solutions in your chemical space according to your project blueprint; novelty to find new ideas of high novelty for rescaffolding/hit discoveries; forward to design a focused collection of compounds easily accessible using commercial starting materials. The new Makya 3D Module enhances the user-experience and scientific utility of Makya. Makya 3D offers a wide range of 3D modeling capabilities in both ligand and structure-based pipelines. You can now use these 3D scores to guide generation natively within Makya.

Our AI engine transforms drug discovery. Our discoveries help create better medicines faster. Our AI-enabled discovery portfolio is co-owned and owned by prominent investors. Atomwise developed a machine-learning-based discovery engine that combines the power of convolutional neural networks with massive chemical libraries to discover new small-molecule medicines. People are the key to redefining drug discovery using AI. We are committed to creating the best AI platform possible and using it to transform small-molecule drug discovery. To help drug developers achieve their goals, we have to tackle the most difficult and seemingly impossible targets. We also need to streamline the drug discovery process in order to make it more efficient. The ability to screen trillions of compounds in silica increases the chance of success. Demonstrates exceptional model accuracy, surpassing the challenge of false negatives.

AutoDock is a set of automated docking tools. It predicts how small molecules, such sub- or drug candidates, will bind to a receptor with a known 3D structure. It has been improved over the years to add new functionalities and multiple engines were developed. AutoDock 4 is the current version, and AutoDock Vina is the latest. AutoDock-GPU is an accelerated version that runs hundreds of times faster than the original single CPU docking code. AutoDock 4 is actually composed of two main programs. Autodock docks the ligand to a list of grids that describe the target protein. Autogrid pre-calculates the grids. The atomic affinity grids can also be visualized. This can be used to help organic synthetic chemists create better binders.

Arxspan's Electronic Lab Notebook, a cloud-based platform for scientific data management, combines biology and chemistry data in one system. It is designed to facilitate collaboration between internal teams and external partners. Single cloud ELN supports chemistry and biology experiments. Advanced, chemical, and keyword searching. Attachment and inline editing for all Microsoft Office, image and instrument files. The private, secure Arxspan Cloud environment allows for deployment without the need for hardware maintenance, acquisition, or IT overhead. Integration with legacy electronic laboratory notebooks systems is possible out of the box. View and/or create sharing capabilities at the notebook and project levels. Configurable permission hierarchy and user roles. Test signing and witnessing workflows. SAFE BioPharma compatibility with multi-factor capabilities. Support for system validation and system updates

Genedata Biologics®, streamlines the discovery of biotherapeutics. This includes bispecifics and ADCs as well as TCRs, CARs-Ts, CARs-Ts, CARs, and AAVs. It integrates all discovery workflows, making it the most popular platform in the industry. This allows you to focus on innovation and is the most widely used. A first-in-class platform that digitalizes biotherapeutic discovery accelerates research. The platform simplifies complex R&D processes by allowing for the creation, tracking, testing, and evaluation of novel biotherapeutics drugs. It can work with any format: antibodies, bi- and multi-specifics as well as ADCs, novel scaffolds, therapeutic proteins, and engineered therapeutic cell line such CAR-T cells and TCRs. Genedata Biologics acts as a central data backbone that integrates all R&D processes. This includes library design, immunizations, selections, panning, molecular Biology, screening, protein engineering and expression, as well as candidate development and manufacturability assessment.

Metabolon offers the largest Level 1 library available in the metabolomics field. Over 5,400 entries are contained in our proprietary library, which has been built over 20 years. The majority of entries are Level 1, accounting for approximately 85% of our library (4,600 entries). However, some are level 2 (approximately 15 % of the entries), due to a lack commercial standards to qualify for Level 1. Metabolon's unmatched library breadth, industry-leading annotation confidence level and unmatched library depth enable us to provide our clients with accurate, highly actionable insight for their scientific or clinical inquiries. Metabolomics is applicable to a wide variety of research, including soil health, food nutrition, preclinical research and clinical trials. Whether you are looking for trends within a group, or modifying an individual's treatment plan, metabolomics will help you find the answers you need.

Eidogen-Sertanty’s Target Informatics platform (TIP), is the first global structural informatics system. It enables researchers to examine the druggable genome from an structural perspective. TIP increases the rapidly expanding body experimental protein structure information and transforms structure based drug discovery from an inefficient, data-scarce discipline to a high-throughput science with rich data. TIP is a tool that bridges the knowledge gap between bioinformatics (bioinformatics) and cheminformatics. It provides drug discovery researchers with a knowledge bank of information that is both unique and highly complementary to existing bio- and cheminformatics platform information. TIP's seamless integration between structural data management technology and unique target-to-lead analysis capabilities enhances every stage of the discovery pipeline.

StarDrop™, a comprehensive suite of integrated software, delivers the best in silico technology within a highly visual interface. StarDrop™, which allows seamless flow between the latest data, predictive modeling, and decision-making regarding the next round or synthesis, improves the speed, efficiency and productivity of the discovery process. A balance of different properties is essential for successful compounds. StarDrop™, which guides you through the multi-parameter optimization challenge, helps you target compounds with the highest chance of success. It also saves you time and resources by allowing you to synthesize fewer compounds and test them less often.

You can share clinical and pre-clinical knowledge easily across your organization using a single platform that integrates all the tools you need. Phoenix WinNonlin is the preferred choice for non-compartmental analysis, toxicokinetic modeling, pharmacokinetic, and pharmacokinetic (PK/PD), modeling by more than 6,000 researchers from biopharmaceutical companies and academic institutions. It also includes 11 global regulatory agencies including the US FDA (EMA), PMDA, and more. The Phoenix Platform features population PK/PD modeling using Phoenix NLME and Level 1 correlation via the Phoenix IIVC Toolkit. Validation Suites allow for quick and easy software validation in less than 30 minutes.

You expect fast, accurate, and conclusive results when using LC-MS/MS in research or routine workflows. SCIEX software helps you get the most from your high-performance LC/MS/MS system. It provides specific workflow and application modules that can be used to complement your operating system. Your mass spectrometer will run with the right software combination that suits your needs. These are the core engines for SCIEX nominal mass systems and accurate mass LC/MS/MS systems. These modules are designed to quickly and reliably acquire, process, and report data, while remaining compliant. Add-on modules allow for simplified workflows and high performance. With application-specific software modules, you can convert your data into conclusive results faster.

BC platforms uses the latest science, unique technology capabilities and strategic partnerships to accomplish our mission of revolutionizing drug discovery, personalizing care, and transforming medicine. Modular, flexible platform that integrates healthcare data. Open analytics framework seamlessly combines the most innovative methods, technology developments and analytics in one platform. Superior security: ISO 27001 certified and GDPR and HIPAA compliant. A complete product portfolio allows modern healthcare systems to fully embrace personalized medicine. Scalable deployments allow for a robust start and large-scale healthcare operation. Our unique toolbox enables faster translation of research insights into clinical practice. Our unique toolbox helps reduce risk, increase your pipeline value, and advance enterprise data strategy. We remove the barriers to data access and enable rapid insight generation.

Many diseases and conditions are linked to the microbiome. Discover how Kaleido is transforming the promise of microbiome into solutions that benefit patients. The human microbiome, which includes bacteria, viruses, archaea, fungi and other organisms, is a collection of over 30 trillion microbes. Research has increased exponentially over the past decade on the effects of the microbiome on human health, including diabetes, heart disease, Parkinson's disease, and cancer. This complex microbial ecosystem has been called a "newly discovered" organ. Many other human organs are worth tens to billions of dollars for therapeutics that modify physiology and treat disease. The microbiome organ is a promising therapeutic option.

A series of carefully planned experiments can help you discover biological biomarkers, uncover disease mechanisms, find new drugs, or identify protein levels changes. It's easy to unlock the power of MS/Proteomics. This allows you to focus on the biological complexity and get closer to the moment for discovery. Our automated, repeatable workflow makes it easier to start experiments and reduce turnaround times. This gives you the flexibility and control to make decisions and act on them immediately. Our proteomics data processing workflow allows you to concentrate on biological insights and human to human collaboration. It is built to scale repeatedly. We have made repetitive and heavy processing easy to use the cloud, making it a seamless and enjoyable experience. Intelligent Proteomics seamlessly integrates complex moving parts to allow larger experiments to be processed, analyzed, and reported with ease.

Polly allows you to harness the power of biomedical information. The Polly Platform allows you to scale batch jobs, workflows and visualization applications. Polly supports resource pooling, optimizes resource allocation based upon your usage requirements, and makes use of spot instances when possible. This results in optimization, efficiency, quicker response time, and lower costs for resources. Access a dashboard that allows you to monitor and track resource usage and costs in real-time. This will allow you to reduce overheads when resource management is done by your IT team. Polly's infrastructure is built around version control. Polly uses a combination dockers and interactive notebooks to ensure version control for your analyses and workflows. We have created a mechanism that allows data, code, and the environment to co-exist. This, along with cloud data storage and the ability for users to share projects, ensures reproducibility in every analysis.

MolView is an intuitive and open-source web application that makes science and education more amazing. MolView is a web-based data visualization tool. MolView allows you to search different scientific databases such as compound databases, protein databases, and spectral databases. You can also view records from these databases in interactive visualizations using WebGL or HTML5 technologies. This web application is built using the JavaScript libraries and other online services. This project was inspired by the Virtual Model Kit.

Ascalaph Designer is a general purpose program for molecular dynamics simulations. All the molecular dynamics methods can be implemented in a single graphical environment. Molecular geometry optimization using conjugate gradient methods. Displays molecular models in separate window. Two cameras are installed in each window. This allows the model to be viewed simultaneously from both sides and in different graphic modes. Drag the splitter located in the right corner to open the subwindow. Clicking on an atom/bond with the left mouse button changes their color. A brief description of the object is displayed in the status bar. Large molecules, especially proteins, can be drawn in wireframes. This style allows for fast drawing. CPK wire frame combines all the above properties.

YASARA, a molecular modeling, simulation, and modeling program for Windows, Linux and MacOS, was developed in 1993. It makes it easy to answer all your questions. YASARA offers a user-friendly interface, photorealistic graphics and support for affordable virtual realities headsets, shutter glasses and autostereoscopic displays. This allows you to concentrate on your goal and not the details of the program. YASARA is powered with PVL (Portable Vector Language), a brand new development framework that delivers superior performance to traditional software. PVL allows you visualize even the largest proteins. It also enables interactive real-time simulations using highly accurate force fields on standard computers, making use of GPUs when possible. Dynamic models allow you to push and pull molecules and can be used instead of static photos.

HyperProtein, Hypercube, Inc.'s latest product, focuses on the computational science of protein sequences. The product allows you to analyze one-dimensional sequences of protein as well as subsequent three-dimensional structures. The product's most important feature is the relationship between structure and sequence. HyperProtein is not like other software programs that can perform specific functions, such as sequence alignment or protein sequence sequence, but it does combine a variety of Bioinformatics tools and Molecular Modeling tools that are related to the science that begins with a protein sequence.

We continue to supply platforms for Synthesis & Reaction Prediction and Information Extraction and Cheminformatics to the DeepMatter Group. DigitalGlassware®, DeepMatter™'s innovative cloud-based digital chemistry platform, brings recordability, reproducibility and sharingability to your lab at all stages of the discovery process, from the planning of your reaction to analyzing it. We continue to collaborate with our clients and users to develop cutting-edge software solutions that improve chemical research and inspire scientific workflows. DeepMatter offers a diverse portfolio of products that optimize the design, hypothesis, and synthesis processes. These products enable new compounds such as pharmaceuticals, agrichemicals, and performance chemicals to get to market faster.DigitalGlassware transforms your chemistry into code to improve your productivity in your laboratory.

Calculate Abraham Solvation Parameters, and other solvation-related properties for solutes, directly from the chemical structure

Percepta allows you to calculate a variety physicochemical properties (PhysChem), ADME properties and toxicity endpoints. You can easily evaluate results from physicochemical, ADME and toxicity calculators - each module provides prediction--specific information, tools such as structure highlighting, calculation protocols, and other tools. Powerful filtering, sorting and graphing tools make it easy to evaluate predicted results. To assess confidence in the predicted result, and its relevance to your current project, you can use reliability index, probability, and/or similar structures from training sets. Calculated molecular properties data can be used to study structural modification/lead optimizing to achieve the target product profile (absorption distribution metabolism excretion). Use experimental data to improve your understanding of the proprietary chemical space and improve prediction accuracy with inbuilt machine learning capabilities.

Predict absorption distribution metabolism and excretion properties from chemical structure. This collection of high-quality calculations for pharmacokinetic properties can be used to support high-throughput screening of libraries. It also provides insight into pharmacological effects and can help ensure that products are safe for humans.