The U01 grant supports collaborative substantial programmatic development between NIH and awarded institutes. Award Number 1U01LM012630-01 from National Center for Advancing Translational Sciences as described on NIH Reporter supports this project. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Center for Advancing Translational Sciences or the National Institutes of Health.

CDD’s flagship product, CDD Vault®, is a modern web application for your chemical registration, assay data management and SAR analysis. CDD Vault® is a hosted database solution for secure management and sharing of biological and chemical data. It lets you intuitively organize chemical structures and biological study data, and collaborate with internal or external partners through an easy to use web interface. CDD Vault® is continuously growing its technology most recently to include ELN, Model and API functionality. CDD publications/patents can be found online on our resources page: https://www.collaborativedrug.com/pages/resources.

The Schürer lab operates at the Department of Pharmacology in the Miller School of Medicine and the Center for Computational Science (http://ccs.miami.edu/focus-area/drug-discovery/) at the University of Miami. The core research theme at the Schürer group is systems drug discovery. We integrate and model small molecule-protein interaction, systems biology ‘omics,’ and chemistry data to improve translation of disease models into novel functional small molecules. Using distributed and parallelized big data analytics, bio- and chemoinformatics tools we build sophisticated modeling pipelines to understand and predict drug mechanism of action, promiscuity and polypharmacology with a particular focus on kinases and epigenetic bromodomain reader proteins with application to cancer and other diseases. In several focused as well as larger-scale projects, we develop formal ontologies (e.g. BioAssay Ontology, Drug Target Ontology), data standards, and end-user multi-tier software applications. We have several drug discovery collaborations ranging from cancer to neurological disorders. To physically make and test the most promising small molecules, we are developing computationally-optimized synthetic routes and we use parallel synthesis technologies to make small compound libraries. The combination of computational and chemistry methodologies accelerated lead optimization and the development towards clinical compounds. The group participates in three national Consortia, the Library of Integrated Network-based Cellular Signatures (LINCS) project (http://bd2k-lincs.org/), the Big Data to Knowledge (BD2K) program (https://datascience.nih.gov/bd2k), and the Illuminating the Druggable Genome (IDG) project (https://druggablegenome.net/). Most recently we are also part of the recently established NIH Data Commons. Schürer publications: https://goo.gl/TsNof9

The Stanford Center for Biomedical Informatics Research (BMIR) studies the development and evaluation of advanced computational methods to enhance biomedicine. BMIR is home to the Center for Expanded Data Annotation and Retrieval (CEDAR), which offers modular, REST-accessible software to accelerate the specification, collection, and publication of scientific metadata, while increasing the quality, quantity, and interoperability of the resulting metadata descriptions. From ontology creation (Protégé), to ontology and vocabulary dissemination (BioPortal), to semantic metadata management (CEDAR Workbench), BMIR provides transformative open source products and services used by millions of researchers. References to all our projects’ publications are provided at https://metrics.stanford.edu/about-us/bio/mark-musen