SOLICITATION NOTICE
D -- Chemical Drawing software - Soliciation
- Notice Date
- 12/5/2017
- Notice Type
- Combined Synopsis/Solicitation
- NAICS
- 511210
— Software Publishers
- Contracting Office
- Department of the Army, U.S. Army Medical Research Acquisition Activity, U.S. Army Medical Research Acquisition Activity, Attn: MCMR-AAA, 820 Chandler Street, Frederick, MD 21702-5014, Maryland, 21702-5014, United States
- ZIP Code
- 21702-5014
- Solicitation Number
- W81XWH-18-T-0009
- Archive Date
- 12/28/2017
- Point of Contact
- Barton J. Vint, Phone: 3016193689
- E-Mail Address
-
barton.j.vint.civ@mail.mil
(barton.j.vint.civ@mail.mil)
- Small Business Set-Aside
- N/A
- Description
- Solicitation - Request For Quote (RFQ) for Chemical Drawing software Title: Chemical Drawing Subscription Requiring Activity Name: Walter Reed Army Institute of Research (WRAIR), Experimental Therapeutics (ET) Branch 1. INTRODUCTION The WRAIR aims to conduct biomedical research that is responsive to Department of Defense and US Army requirements and delivers life-saving products including knowledge, technology and medical material that sustain the combat effectiveness of the Warfighter. With our headquarters dedicated to Senator Daniel E. Inouye and located in Silver Spring, Maryland, the Walter Reed Army Institute of Research is the largest biomedical research facility currently serving the Department of Defense. Established in 1893, our research and development now reaches around the world from Maryland to Germany, Thailand, and Kenya. Our vision is to be the premier DoD biomedical research organization, constantly relevant, integrating basic research and advanced technology that protects, projects, and sustains the Warfighter today, invents global medical solutions for the future, and keeps the Warfighter on point for the Nation. We host two Centers of Excellence for Military Psychiatry and Neuroscience Research and for Military Infectious Disease Research, each center ranging from blast induced neurotrauma to malaria vaccine development. 2. PURPOSE AND BACKGROUND The Experimental Therapeutics (ET) Branch of the Military Malaria Research Program (MMRP) is part of the Walter Reed Army Institute of Research (WRAIR). The mission of ET is to discover and develop new pharmaceutical agents to protect military members from death, disease, and injury. The ET Branch is the nation's primary developer of new drugs to prevent and/or treat malaria and leishmaniasis. Collectively, ET engages in drug discovery, drug efficacy and mechanism evaluation, and formal preclinical and clinical development. ET carries out state of the art research in every stage of drug discovery and development, beginning with the concept of a useful drug and carrying that idea through to an FDA-approved product. We screen putative antiparasitic compounds in vitro for potency, toxicity, solubility, permeability and metabolic stability. Compounds that have promising results from in vitro testing are advanced to animal testing in mice and non-human primates. Drug formulation, leading to requisite in vivo pharmacokinetic/pharmacodynamic and toxicity testing are also needed for advancing a compound into human trials. Chemical drawing software is employed by chemists and biologists to create publication-ready, scientifically-intelligent drawings for use in databases and publications, and for querying chemical databases including SciFinder. This software is crucial for scientists and researchers to capture, store and share data on novel drug candidates, reactions, materials and their properties. It helps chemists and biologists to efficiently keep track of their work, visualize and gain a deeper understanding of their results, and correlate biological activity with chemical structures. In addition, this software is used by the medicinal chemists to calculate properties and to design safer anti-parasitic, antiviral, and antibiotic-resistant drug candidates. 3. SCOPE This requirement is for a subscription to a Chemical Drawing Software for thirty (30) users that is compatible with Windows & Macintosh and meets all the Minimum Essential Characteristics (MECs). The chemical drawing software subscription shall be delivered electronically and the subscription shall be renewed yearly for each option period. The contractor will not be responsible for the installation of the software MINIMUM ESSENTIAL CHARACTERISTICS (MEC) At a minimum, the Chemical Drawing Software shall: 1. Be functional on both Macintosh and Windows platforms 2. Handle and represent organic, organometallic, and polymeric/biopolymer materials, including amino acids, peptides, and DNA and RNA sequences 3. Handle advanced forms of stereochemistry 4. Include an set of biological templates and drawing objects to depict cells and pathways, including membranes, DNA, enzymes, receptors, tRNA, Ribosomes, Helix Proteins, Golgi Bodies, G-proteins, Immunoglobins, Mitochondrion, Plasmid mapping, and reaction arrows. 5. Predict properties, including pKa, tPSA, LogP and LogS live-linked to the structure 6. Accurately estimate 13C and 1H NMR spectra and chemical shifts with peak splitting and highlighting, and choice of solvent 7. Calculate reaction stoichiometry 8. Draw molecules, reactions and biological entities and pathways for use in documents and electronic lab notebooks 9. Generate accurate IUPAC, live-linked names from structures, and chemical structures from chemical names. Capability can be used for charged compounds and salts, bridged and fused ring systems, highly symmetric structures, isotopically labeled compounds, inorganics and organometallics. 10. Incorporate TLC and Gel Electrophoresis plate drawing capabilities 11. Provide fragmentation tools and analysis 12. Read and write supported graphic and chemical file formats (.cdx,.cdxml,.mol,.chm,.skc, SMILES, etc.) 13. Draw and submit chemical compound and reaction searches directly to SciFinder 14. Interface with Microsoft Excel and allow analysis, sorting and organization tools to further manipulate and enrich sets of compounds and data and explore structure-activity relationships; allow construction and manipulation of chemical structures within Excel, computation of chemical properties, and use of structure, substructure and R-group searches to locate, group, and analyze compounds. 15. Provide chemical searching capability based on (sub)structure, similarity, numeric values, text, chemical formula (including element ranges, element exclusions), date. Support for tautomers and alternate groups. 16. Enforce preferred structure orientation, normalize structures, strip salts, generate molecular fingerprints, and convert file formats. 17. Provide visualization tools to assess shape and properties of compounds that can interface with other computational tools, including Gaussian, MOPAC, Conflex, and Autodock.
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