Best Chemical Software for Windows of 2025 - Page 2

CryoTrackIMS is a comprehensive software solution tailored for various fields, including molecular biology, cell banking, cellular biology, clinical samples, biorepositories, biobanking, biochemistry, immunology, and protein laboratories, as well as high-throughput screening, quality assurance, IVF labs, and core facilities. Users can effortlessly design any box, plate, or pie layout by choosing from rows and columns or opting for a pie configuration, allowing their custom box to be generated in mere seconds for data input. Efficient inventory management of precious biological samples and specimens is essential for both fundamental research and the biotech industry. Managing extensive collections of diverse samples such as DNA, RNA, plasmids, clones, proteins, peptides, probes, antibodies, enzymes, specimens, tissues, and cell lines can often become a challenging and overwhelming endeavor that results in significant financial costs alongside frustration and wasted time. CryoTrack provides an all-encompassing solution specifically designed for laboratories within universities, clinics, biotechnology firms, and pharmaceutical organizations. This advanced software not only simplifies sample tracking but also significantly enhances lab efficiency and productivity. By streamlining the organization of critical biological materials, CryoTrackIMS empowers researchers to focus more on their experiments and less on administrative burdens.

BatchMaster Manufacturing ERP Solutions can be used by formula-based process manufacturers in the Food, Chemical, Nutraceutical, and Life Sciences industries. Our software supports batch production, formulation, packaging management, batch production, quality and recall, lot traceability & rappel, industry-specific compliance, planning, scheduling, mobile warehousing, and other process manufacturing functions. Manufacturers can use their existing financial systems to run our process manufacturing application, including QuickBooks, Sage 100&300 and Microsoft Dynamics GP. We offer an ERP solution for manufacturers looking to replace or upgrade existing business systems. It supports specific manufacturing, financials and sales as well as supply chain, purchasing and customer service. Our applications are available on-premise (purchased), and in the cloud (monthly subscription programs).

CDD Vault allows you to intuitively organize chemical structures, biological study data, as well as collaborate with external or internal partners via a simple web interface. Start a free trial to see how easy it can be to manage drug discovery data. Tailored for You Affordable Scales with your project team Activity & Registration * Electronic Lab Notebook * Visualization * Inventory * APIs

Avogadro serves as a sophisticated molecular editor and visualizer that operates across multiple platforms, catering to fields such as computational chemistry, molecular modeling, bioinformatics, and materials science. With its ability to provide flexible, high-quality rendering alongside a robust plugin architecture, it enhances user experience significantly. This free, open-source tool is compatible with Mac, Windows, and Linux, making it accessible to a wide range of users in scientific disciplines. Its design emphasizes not only functionality but also adaptability to various research needs.

Quantum computing paves the way for the swift and cost-efficient creation of novel molecules and materials. InQuanto, an advanced platform for quantum computational chemistry, marks a significant advancement towards achieving this objective. The field of quantum chemistry seeks to precisely characterize and forecast the essential properties of matter, making it an invaluable asset for the innovation and formulation of new substances. Nonetheless, the intricacies of industrially relevant molecules and materials present challenges for accurate simulation. Current technologies necessitate a compromise, forcing users to choose between utilizing highly precise methods on minimal systems or resorting to approximations. InQuanto's adaptable workflow allows both computational chemists and quantum algorithm engineers to seamlessly integrate cutting-edge quantum algorithms with sophisticated subroutines and error mitigation techniques, optimizing performance on existing quantum platforms. This flexibility not only enhances research outcomes but also fosters collaboration among experts in the field, driving further innovation.

Successfully managing the intricate operations of enterprise manufacturers and distributors is crucial for business growth. Infor M3 stands out as a cloud-centric ERP solution tailored for manufacturing and distribution, utilizing cutting-edge technologies to enhance user engagement and deliver robust analytics across various companies, countries, and sites. Alongside Infor M3, the CloudSuite™ industry solutions offer top-notch functionality for sectors such as chemicals, distribution, equipment, fashion, food and beverage, and industrial manufacturing. To maintain a competitive edge, agility is essential. The latest features provide enhanced data-driven insights and optimized workflows, empowering you to make well-informed decisions swiftly and take decisive action when necessary. Ultimately, embracing these advancements can significantly enhance operational efficiency and responsiveness in today's dynamic market.

BIOVIA TURBOMOLE is an advanced software package for quantum chemistry that specializes in ab initio electronic structure calculations for a variety of systems, including molecules, clusters, periodic structures, and solutions. Originally developed at the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, the package is currently managed by TURBOMOLE GmbH, which has expanded its capabilities to include a wide range of computational methods such as density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter approaches. It stands out for its ability to provide precise predictions related to chemical reactions, spectroscopy, and simulations of optical devices. Key features include optimization of reaction pathways, searches for transition states, and the modeling of solvation effects through COSMO-RS. Additionally, its spectroscopic tools cover various techniques such as IR, Raman, VCD, UV-Vis, and vibronic spectra, while simulations of optical properties are enhanced by sophisticated methods for spin-orbit coupling and relativistic all-electron calculations. This powerful software thus serves as an essential resource for researchers aiming to explore complex chemical systems and their properties.

BIOVIA COSMO-RS serves as an extensive toolkit for modeling and forecasting fluid phase characteristics, which empowers professionals such as chemical engineers, chemists, formulation experts, and materials scientists to innovate and develop solutions more rapidly and effectively than relying solely on traditional testing and experimentation methods, thereby enhancing innovation while minimizing costs. The simulations conducted using COSMO-RS are grounded in a solid scientific framework, guaranteeing dependable predictions across the entire spectrum of liquid-state chemistry. By employing a first-principle methodology, it is capable of forecasting the properties of new compounds that have yet to be synthesized, pushing the boundaries of known chemical territory. The team behind BIOVIA consists of the original creators of COSMO-RS, providing prompt assistance and unparalleled expertise to tackle even the most complex challenges in solution thermodynamics. Additionally, the primary advantages encompass a solid scientific basis that merges quantum chemistry with thermodynamics to assure both accuracy and reliability, fostering a deeper understanding of fluid behaviors in various contexts. This comprehensive approach not only streamlines the research process but also opens up new avenues for exploration within the field.

As a member of the DeepMatter Group, we persist in providing our advanced platforms for Synthesis & Reaction Prediction, Information Extraction, Cheminformatics, and the groundbreaking DigitalGlassware®, which is a cloud-based digital chemistry solution from DeepMatter™ that enhances recordability, reproducibility, and shareability throughout every phase of the discovery journey, from the initial planning of reactions to the final analysis of results. Our collaboration with clients and users remains strong as we develop innovative software solutions designed to elevate chemical research and refine scientific workflows. DeepMatter boasts a diverse range of products that significantly speed up and enhance the processes of hypothesis generation, design, and synthesis. By utilizing these tools, new compounds—including pharmaceuticals, agrichemicals, and performance chemicals—can reach the market more swiftly. Additionally, DigitalGlassware converts your chemistry into digital code, ultimately boosting laboratory productivity and efficiency in research endeavors. This fusion of technology and chemistry opens up new avenues for innovation and collaboration in the scientific community.

Khimera serves as a tool for determining the kinetic parameters associated with microscopic processes, as well as the thermodynamic and transport characteristics of various substances and their mixtures within gases, plasmas, and at the gas-solid interface. Its main users include engineers and researchers who focus on developing kinetic models and engaging in thermodynamic and kinetic simulations pertinent to fields such as chemical engineering, combustion, catalysis, metallurgy, and microelectronics. This software is particularly well-suited for multi-scale modeling, as it connects the fundamental molecular properties of individual molecules with the ensemble-averaged characteristics of the reactive medium, encompassing thermodynamic and transport properties along with the rates of chemical reactions. Additionally, Khimera allows for the integration of quantum-chemical simulation results, enabling users to derive properties without requiring any experimental data from their side. By bridging the gap between different scales of modeling, Khimera enhances the understanding of complex systems in various scientific domains.

Since its inception in 1989, Computing Solutions, Inc. (CSI) has been dedicated to delivering LabSoft LIMS specifically tailored for the Chemical, Manufacturing, Food & Beverage, Energy, Agriculture, and Petrochemical sectors. This robust laboratory information management system (LIMS) not only offers a comprehensive array of features but is also highly adaptable, allowing seamless collaboration with various digital business systems such as OSIsoft’s PI and Microsoft Dynamics AX. The extensive capabilities of LabSoft LIMS empower users to construct an integrated solution that maximizes the value of laboratory data, resulting in enhanced quality and lowered expenses. Beyond the standard functionalities expected from a LIMS, LabSoft distinguishes itself through its exceptional configurability. This system is designed to accommodate diverse sampling types and processes, ensuring that users can efficiently manage QC, in-process, lot/batch, tanks, and finishing samples among others. With LabSoft LIMS, laboratories can optimize their operations, leading to improved performance and productivity.

Execute complex processes efficiently for enterprise distributors and manufacturers. Infor®, M3 is a cloud-based manufacturing and distribution ERP system. It leverages the most recent technologies to offer an exceptional user experience, powerful analytics, and a multicompany platform that supports multicountry and multisite users. CloudSuite™, which includes Infor M3® and related CloudSuite™, industry solutions, offers industry-leading functionality in the chemical, distribution and equipment, food and beverage, as well as other manufacturing and distribution industries. Multisite, multicompany and multicountry support is available for 25+ languages and 50+ nations. Personalized, role-based homepages that are accessible via a variety of browsers and devices can increase productivity. You can take advantage of the built-in functionality to help you in your chemical, distribution, equipment, food, beverage, and industrial manufacturing industries.

We make the world safer, more sustainable, and more productive. Our software analyzes data from many sources to help companies make better strategic business decisions regarding mitigating risk. This is called Integrated Risk Management 4.0 (IRM 4.0). Our success is based on the fact that we have never had to deal with any of these incidents. Sphera's Environment, Health, Safety & Sustainability solutions provide end-to-end risk management on a single platform that can be scaled to meet companies' daily and strategic EHS&S goals. Sphera's Operational Risk Management Solutions help operators create a unified strategy to drive Operational Excellence throughout the enterprise. Sphera's Product Stewardship Solutions combine the best-of-breed and rich content to allow you to comply, streamline, and automate all aspects of your products' lifecycle.

CADSIM Plus is an innovative software designed for chemical process simulation, integrating a dynamic simulator based on first principles with a comprehensive Computer Assisted Drawing (CAD) interface all in one solution. It excels in conducting accurate heat and material balances across various chemical processes and is capable of creating intricate dynamic simulations that incorporate control logic and batch operations. The software is equipped with an extensive array of generic process modules and provides optional libraries tailored for diverse applications. CADSIM Plus accommodates a broad spectrum of drawing complexities, ranging from straightforward block diagrams to intricate engineering schematics, and facilitates the export of designs to AutoCAD and other conventional CAD software. With its 'electronic flowsheet' runtime simulation mode, users are provided with interactive and animated tools for simulation, allowing real-time adjustments to process conditions during operation. This versatile software finds applications in process design, troubleshooting, forecasting future process scenarios, and addressing challenges related to dynamic control, making it a valuable asset for engineers and researchers alike. Furthermore, its user-friendly interface ensures that even those new to process simulation can effectively harness its powerful capabilities.

Petrotechnics' Proscient is a cutting-edge solution to realizing the practical benefits of digitalisation and Industry 4.0. The software platform gives operators in the petroleum industry a new, more efficient way to visualize and manage risk and activity. Proscient combines disparate technologies and information across an organisation. It translates and aggregates it in a way that simplifies complex planning, operations maintenance and engineering, and HSE processes. Everyone, from the boardroom to the frontline operations, can see and manage risk and activity in three simple screens. This gives them insight to help make better business decisions. They can manage risk, cost, and productivity like never before. With real-time access, they can see what's going on, where it's occurring, and what's driving it.

Enhance your design decisions and seamlessly monitor the entire compound synthesis journey with confidence. Torx serves as an innovative, visually-oriented, web-based platform that motivates chemistry discovery teams to collaborate effectively and accelerate their progress. It features dedicated, independent modules for Design, Make, Test, and Analyze, all working in harmony to provide a comprehensive platform for the discovery cycle. Expedite the design of molecules, easily capture and disseminate knowledge, and manage resources efficiently. The platform promotes collaborative efforts and efficient information sharing for all participants involved in the DMTA cycle. Regardless of whether you label it 'Design-Make-Test-Analyze' or 'Design-Synthesize-Test-Analyze,' all small molecule chemistry teams adhere to a standard process: designing molecules, synthesizing compounds, then testing and assessing the outcomes before embarking on the next cycle; this methodology is a guiding principle for chemistry teams globally. This streamlined approach not only enhances productivity but also fosters a culture of innovation within the team.

To reduce attrition rates for molecular entities that are unlikely succeed in nomination as drug candidates, direct new compound synthesizers, and focus animal testing requirements, calculate drug toxicity and safety.

Expert algorithms can help you to understand complex structures using experimental data.

Multi-technique, vendor-neutral analytical data processing. All data types can be analyzed and reported using one interface. With built-in tools for processing and interpretation, you can quickly extract results. Search commercial or in-house spectral libraries.

Any web browser on Mac or Windows can be used to process and analyze NMR, xC/UV/MS and other data. You can access a complete range of intuitive processing tools whenever and wherever it's most convenient for you.

Calculate the physicochemical properties of organic compounds such as boiling point, aqueous solubility and logD, logP, pH, pKa, and other molecular descriptors from chemical structure.

All your 1D and 2D NMR data can be processed, analyzed, and assembled. ACD/NMR Workbook Suite provides a complete NMR software program. It offers a complete suite of advanced processing, analysis and databasing functions for 1D and 2-D NMR data from all major vendors formats. With synchronized peak picking, assignment across multiple datasets, you can easily process and analyze NMR data. Verify chemical structures with confidence Analyze and quantify mixtures. Prepare comprehensive reports and publish-ready data. Manage, share, and store NMR spectra that are linked to structures.

Predict 1D & 2D NMR spectra of structures. ACD/Labs NMR predictors can speed up your workflow, from experimental design to data interpretation. Use ACD/NMR Predictors for: Predict a complete set 1D and 2D NMR spectrum for 1H, 13C and 15N nuclei. Calculate chemical shifts, coupling constants in just seconds - Train algorithms using in-house data to increase accuracy for new chemical space

Generate chemical names for structure and create structures from them according to IUPAC rules. It is capable of translating chemical names into more than 20 languages and handles difficult areas in nomenclature.

All mass spectral data management and analysis can be done with one software. Quickly identify, distinguish, identify, characterize, and characterize components. ACD/MS Workbook suite is an all-in one package for MS data management. You can process MS, LC/MS and GC/MS data that you have acquired using instruments from any major vendor. Auto-annotate peaks, and associate them with compound structure. Search databases for spectral matches and deconvolute spectra to identify unknowns. Make spectral databases that are easily searchable and shareable.