Transformer Retrosynthesis

In drug discovery, there are two main approaches to hit finding: 1) virtual screening of existing small molecule libraries and 2) generative design of new molecules. Generative molecule design can result in better binders, but it may be unknown how to synthesize them. The task of retrosynthesis – designing a synthesis pathway for a molecule […]

SELFIES and the future of molecular string representations

Neural sequence models have recently produced astonishing results in domains ranging from natural language to proteins and biochemistry. Current sequence models trained on text can explain jokes, answer trivia, and even write code. AlphaFold is a sequence model trained to predict protein structure with near-experimental accuracy. In the chemistry domain, sequence models have also been used for learning problems on […]

Blazing-fast, high-accuracy drug-protein docking with EquiBind Geometric Deep Learning

This week we discuss a new paper from the creators and authors of EquiDock [see our related blog on EquiDock that explores “Independent SE[3] Equivariant Models for End-to-End Rigid Docking”]. Today’s discussion relates to EQUIBIND: Geometric Deep Learning for Drug Binding Structure Prediction EquiBind differs from EquiDock in its flexible ligand modeling. Whereas EquiDock performs rigid protein-protein docking, EquiBind allows […]

The new age of computational drug discovery

What is needed to design a new drug? Pathological pathways and structures of involved proteins are essential. Solving protein structures is one of the oldest problems in biological sciences and typically involves expensive experiments and much trial and error. For over 50 years, researchers have attempted to build computational models that could predict protein structures […]

Making the digital lab a reality at Novartis with ZONTAL

During their presentation at the 2020 Fall Allotrope Connect Conference, titled “Making the digital lab a reality at Novartis with ZONTAL”, Novartis shared the results of their recent FAIR data strategy, which used advanced data collection and analytics to enable scientists to maintain their focus on science. Novartis incorporated ZONTAL, powered by the Allotrope Data Format, as […]

How BYU Library adopted a FAIR data hub

During the summer of 2019, BYU Harold B. Lee library teamed up with ZONTAL, Inc. to see if technology developed for the Pharma market could revolutionize how libraries are currently managing their data.   Intrigued by the Allotrope Data Format and its possibility to store metadata as well as content data in one vendor agnostic […]

PROVO, USA, November 12, 2019 / B3C newswire / — ZONTAL, a leading provider of interconnected information management products and member of the OSTHUS Group, will present ZONTAL Space at the Lab of the Future Congress on November 13th-14th, 2019 in Cambridge, UK. ZONTAL Space provides access to the full scope of enterprise data in a single platform and enables fast roll-ins of enterprise scale solutions.

 

ZONTAL Space ensures highest data integrity, full GxP compliance, and complete access for reuse of all digital assets. ZONTAL Space can be launched rapidly for Proof-of-Concepts. Within days, the ability to standardize and harmonize data can become available. Assets managed within ZONTAL Space are always ready for the next audit and long for your data science applications.

Download our whitepaper on process harmonization.

ZONTAL Space is the foundational layer for true digitalization. Its key components are threefold. First, a staging service that harmonizes data from potentially globally distributed sources. Second, a preservation service that ensures full lifecycle management with detailed audit trail capabilities. Third, integration services that connect your assets to a variety of advanced data analytics capabilities. Either as a full-scale platform, or in components that enhance current IT landscapes, ZONTAL Space pushes the limits of true digitalization.

With over 20 years of experience in the regulated industries, ZONTAL engineered a fully GxP pre-qualified platform that is ready for roll in. ZONTAL CEO Wolfgang Colsman states: “Inspired by 20+ years’ experience in Data Management and Allotrope, we built ZONTAL Space to guide successful digitalization of the pharmaceutical industry. Follow our lead and enter a better future.”