Attachment 5 - Phase 2 Eval Instructions.pdf
PDF 222 KB Posted
- Attached to
- Chemistry Software and Support Federal contract opportunity
- Solicitation number
- 75N95024R00098
About this file
This document contains the Phase Two Evaluation Instructions for a federal contract opportunity related to chemistry software and support. The instructions detail the required capabilities that must be demonstrated, including: accurate chemical structure drawing and editing, structure display in various formats, structure to name and name to structure conversion, physical-chemical property calculation, NMR spectrum prediction, solubility and partitioning analysis, and optional ADME prediction. The software must also have the ability to save and retrieve structures in a database, migrate existing structures, and export structures to various file formats. The instructions also address technical support requirements, such as resolving software issues due to security changes or laptop updates implemented by the agency. This document is part of the solicitation materials for the federal contract opportunity with Solicitation Number 75N95024R00098, issued by the Department of Health and Human Services, National Institutes of Health, National Institute on Drug Abuse.
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| Attachment 4 - Tech Eval Criteria.pdf | ||
| Attachment 6 - Invoicing Instructions With IPP.pdf | ||
| CSS-Chemistry Software Support.pdf | ||
| Attachment 1 - Chemistry Software Support SOW.pdf | ||
| Attachment 2 - Additional_Terms_and_Conditions.pdf | ||
| Attachment 3 - FAR 52-212-5.pdf |
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Phase Two Evaluation Instructions
Demonstration:
Please provide a demonstration of the following capabilities:
Draw and edit chemical structures accurately. Structure display (wireframe, ball & stick, space fill). Should be able to export the structure to files formats like MOL, MRV, SMILES, InChI, JPG, and other commonly used formats. Structure to name conversion and name to structure conversion through IUPAC names, common names, drug commercial names and CAS registry numbers. Correcting errors in chemical structures. Determine the physical-chemical properties and calculation of the structure. Provide physicochemical descriptors. Provide elemental analysis for molecular properties, predict 13C and 1H NMR spectras. Access solubility, partitioning and protonation. If available, predict ADME of the compound.
1. Chem Structure Drawing
☐ Structure to name (IUPAC)
☐ Name to structure
☐ Recognize common names
☐ Atom drawing
☐ Periodic Table
☐ Calculate the Formula and Mass of selected structures or fragments
☐ Charge
☐ Isotope
☐ Enhanced stereo notation
☐ Bond (single / double/ triple) query properties
☐ Chain Drawing
☐ Setting absolute stereo (Chiral)
☐ Atom lists/NOT lists
☐ R-group labels, definition, logic
☐ Coordinate bond from multi-atom group
☐ Valence check
☐ Aromatization
☐ Mapping
☐ Structure Checker
☐ Structure display (wireframe, ball & stick, space fill)
☐ R/S and E/Z stereo notation
☐ Biomolecule display
2. Elemental Analysis
☐ Exact and nominal mass, molecular weight and atom count
☐ Elemental composition
☐ Molecular formula
☐ Molecular composition
3. NMR predictor
☐ Predict 13C and 1H NMR spectra
4. Solubility
☐ pH-dependent solubility
☐ Solubility in water
5. Partitioning
☐ LogP
☐ LogD
6. Protonation
☐ Calculation of pKa values along with pH dependent distribution.
Optional Support
☐ ADME Tool
Additionally, please demonstrate that the software can:
• Chemistry software shall be able to save the structure into SQL Server database and retrieve structure.
• Chemistry software shall migrate all existing structures.
• Chemistry software shall be able to export the structure into various file formats (JPG, MOL, MRV, SMILES, InChI, etc).
Technical Support
• Once the Chemistry Software is installed on NINDS laptops successfully, if NIH implements security changes (Firewall, Laptop, Network) and if the Chemistry Software does not function, how is this resolved?
• Once the Chemistry Software is installed on NINDS laptops successfully, NIH continuously updates our Laptops (Bi-Weekly/Monthly) and if the Chemistry Software does not function, how is this resolved?
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