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  • BioSolveIT

    BioSolveIT is the global premier cheminformatics company and a leader in easy-to-use yet sophisticated software solutions for hit finding, lead optimization and prioritization. Its core businesses are software, services, and research collaborations. With the Feature Trees program BioSolveIT took leadership in ultra-fast virtual high throughput screening using a fragment-reassembly-based approach.

  • ChemAxon

    ChemAxon is a leader in providing chemical software development platforms and desktop applications for the biotechnology and pharmaceutical industries. By focusing upon active interaction with users and core portability, ChemAxon creates leading edge cross platform solutions to power modern cheminformatics and chemical communication.

  • Atomwise

    Atomwise is revolutionizing how drugs are discovered with AI. They invented the use of deep learning for structure-based drug discovery, today developing a pipeline of small-molecule drug candidates advancing into preclinical studies. Their AtomNet® technology has been used to unlock more undruggable targets than any other AI drug discovery platform. They are tackling over 600 unique disease targets across 775 collaborations spanning more than 250 partners around the world. Their portfolio of joint ventures and partnerships with leading pharmaceutical, agrochemical, and emerging biotechnology companies represents a collective deal value approaching $7 billion. Atomwise has raised over $174 million from leading venture capital firms to advance our mission to make better medicines, faster.

    Learn more at atomwise.com, or connect on Twitter and LinkedIn.

  • OpenEye

    OpenEye Scientific is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and technology and design services. Our scientific, physics-based approach to molecular design historically focused on molecular shape and electrostatic potential to inform and guide molecular discovery and optimization. OpenEye now has integrated its applications and toolkits into Orion,™ the only cloud-native, fully integrated molecular design platform. Combining unlimited computation and storage with powerful tools for data sharing, visualization and analysis in an open development platform, Orion offers unprecedented capabilities for the advancement of pharmaceuticals, biologics, agrochemicals, and flavors and fragrances. Founded in 1997, OpenEye is a privately held company headquartered in Santa Fe, New Mexico, USA, with offices in Boston, Massachusetts, USA; Cologne, Germany; and Tokyo, Japan. For more information about OpenEye's Orion™ molecular design platform, go to www.eyesopen.com/orion. For more information about OpenEye, go to www.eyesopen.com.

  • Schrödinger Live Design

    LiveDesign is Schrödinger's cloud-based enterprise informatics platform that brings together the power of live cheminformatic data analysis and high throughput predictive modeling. Molecular discovery projects are accelerated through highly collaborative design cycles with automated workflows and easy integration to centralize data and tools into a single centralized system. Bringing you better science, faster.

  • Molsoft

    The Mcule database can be searched by substructure using MolSoft's MolCart Giga Search, 3D pharmacophore shape using MolSoft's Rapid Isostere Discovery Engine (RIDE) or structure-based search to a pocket in a crystal structure using MolSoft's ICM Docking technology.

  • PostEra

    PostEra offers medicinal chemistry as a service powered by machine learning.

  • Pistoia Alliance

    The Pistoia Alliance is a global, not-for-profit members’ organization made up of life science companies, technology and service providers, publishers, and academic groups working to lower barriers to innovation in life science and healthcare R&D. It was conceived in 2007 and incorporated in 2009 by representatives of AstraZeneca, GSK, Novartis and Pfizer who met at a conference in Pistoia, Italy. Its projects transform R&D through pre-competitive collaboration. It overcomes common R&D obstacles by identifying the root causes, developing standards and best practices, sharing pre-competitive data and knowledge, and implementing technology pilots. There are currently over 150 member companies; members collaborate on projects that generate significant value for the worldwide life sciences R&D community, using The Pistoia Alliance’s proven framework for open innovation. For further information visit www.pistoiaalliance.org

  • InChI Trust

    The InChI Trust is responsible for the maintenance, development and promotion of InChI – the IUPAC International Chemical Identifier. The InChI was developed as a non-proprietary international standard to provide a canonical representation of chemical structures that enables reliable discovery and interlinking of chemical information. The aim of the InChI Trust is to support developments of the current InChI standard, and to encourage its broad adoption and use.

  • Iktos

    Incorporated in October 2016, Iktos is a start-up company specializing in the development of artificial intelligence solutions applied to chemical research, more specifically medicinal chemistry and new drug design. Iktos is developing a proprietary and innovative solution based on deep learning generative models, which enables, using existing data, the design of molecules that are optimized in silico to meet all the success criteria of a small molecule discovery project. The use of Iktos technology enables major productivity gains in upstream pharmaceutical R&D. Iktos offers its technology both as professional services and as a SaaS software platform, Makya™. Iktos is also developing Spaya™, a synthesis planning software based upon Iktos's proprietary AI technology for retrosynthesis. More information on: https://iktos.ai

  • Molecule.one

    Molecule.one makes leading AI-powered software for rapid and accurate synthesis planning. The software is based on top-performing AI models, offers convenient & tailor-made user experience and is fast enough to accurately assess large collections of molecules in terms of synthetic accessibility.

  • Cresset

    Cresset Discovery Services customers can now access Mcule's purchasable compound library, through their inclusion in the Blaze™ virtual screening platform.