70 -- MODECULAR SIMULATIONS, INC. LICENSES AND SOFTWARE

Notice Date

September 8, 2000

Contracting Office

Department of Health and Human Services, Center for Disease Control and Prevention, Procurement and Grants Office (Atlanta), 2920 Brandywine Road, Room 3000, Atlanta, GA, 30341-4146

ZIP Code

30341-4146

Solicitation Number

2000-Q-00202

Response Due

September 23, 2000

Point of Contact

Deborah White, Contract Specialist, Phone (770)488-2608, Fax (770)488-2670, Email DWhite2@CDC.GOV

E-Mail Address

Deborah White (DWhite2@CDC.GOV)

Description

1. P 2. 0908 3. 2000 4. GPO416801 5. 30341 6. D 7. CENTERS FOR DISEASE CONTROL & PREVENTION (CDC), PROCUREMENT AND GRANTS OFFICE, CMB/IT, K-14, 2920 BRANDYWINE RD, ATLANTA GA 30341-4146 8. D_MOLECULAR SIMULATIONS, INC., LICENSES AND SOFTWARE 9. 2000-Q-00202 10. 09232000 11. DEBORAH G. WHITE, CONTRACT SPECIALIST, 770-488-2608 12. N/A 13. N/A 14. N/A 15. N/A 16. N/A 17. The Centers for Disease Control and Prevention (CDC) intends to solicit a quotation for the acquisition of a perpetual license for commercial software modules from Molecular Simulations, Inc., on a sole sources basis, in support of the Health Effects Laboratory Division (HELD) of the National Institute of Occupational Safety & Health (NIOSH), Morgantown, WV. The fully integrated system must be capable of the following functions: 1) access and efficiently search available information on chemical structure in two and three dimensional representations (including the possibility of multiple conformations of each molecule ), four dimensional representations (which includes additional shape information), bulk chemical properties and general toxic potency for as many chemicals as possible (when searching for information in the data bases, the search routines must allow a variety of types of searches, e.g. by pharmacophore and shape. Searches by docking with a target receptor are not acceptable); 2) provide chemical database support, i.e. a capability to store, handle, manipulate and search databases of 1D-, 2D-, 3D-and 4D-chemical information in generic and proprietary formats or import from generic (SD-file) format, including the capability to distinguish chemical enantiomers (mirror images) and other types of chemical chirality; 3) provide capability of efficient searching of the largest commercial (MDL) databases, including the ability to search using information of different chemical dimensions simultaneously in one query and including the ability to search by pharmacophore and shape (4D information) and not just by docking with a target receptor; 4) support multiconformational libraries and an appropriate search technology including a variety of pharmacophore queries; 5) calculate a variety of 1D, 2D, 3D and 4D QSAR descriptors of the chemicals, including the moments of inertia and minimal cross-sections of the molecules; 6) provide a standard QSAR analysis techniques, including cluster analysis, principle components analysis, regression analysis, partial least squares; 7) provide cutting-edge QSAR analysis techniques, including genetic algorithm methods for selection of informative descriptors and automatic generation of pharmacophore hypothesis. The data and analysis elements of the system must be fully integrated with the existing proprietary software. Simplified Acquisition Procedures will be utilized and an oral quotation will be solicited on or about 09/20/2000. Other than Full and Open Competition is authorized pursuant to 41 U.S.C 2253(C)(1). Qualified vendors have 14 days from date of this synopsis to submit capability statements delineating their ability to provide this product. Such qualifications will be used solely for the purpose of determining whether or not to conduct this procurement on a full and open competition basis. No solicitation exists. For further information, contact Deborah G. White, fax#(770)488-2670.

Web Link

Visit this URL for the latest information about this (http://www2.eps.gov/cgi-bin/WebObjects/EPS?ACode=P&ProjID=2000-Q-00202&LocID=2965)

Record

Loren Data Corp. 20000912/70SOL007.HTM (D-252 SN494742)