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Journal of Chemical Information and Computer Sciences|February 24, 2001
A constant time algorithm for estimating the diversity of large chemical librariesD K AgrafiotisJournal of Chemical Information and Computer Sciences|February 24, 2001
QSAR models using a large diverse set of estrogensL M Shi, H Fang, W Tong, et al.Journal of Chemical Information and Computer Sciences|February 24, 2001
Computational modeling of a binding conformation of the intermediate L-histidinal to histidinol dehydrogenaseK Gohda, D Ohta, G Iwasaki, et al.Journal of Chemical Information and Computer Sciences|February 24, 2001
Recent progress in atomic and chemical group effective potentialsL Maron, C Teichteil, R Poteau, et al.Journal of Chemical Information and Computer Sciences|February 24, 2001
A computational study of the effectiveness of the frontier molecular orbital formalism in predicting conformational isomerism in (p-RC6H4NC)2W(dppe)2N L Wagner, J M Kloss, K L Murphy, et al.Journal of Chemical Information and Computer Sciences|February 24, 2001
DFT/ECP study of C-H activation by (PCP)Ir and (PCP)Ir(H)2(PCP=eta3-1,3-C6H3(CH2PR2)2). Enthalpies and free energies of associative and dissociative pathwaysK Krogh-Jespersen, M Czerw, M Kanzelberger, et al.Journal of Chemical Information and Computer Sciences|February 24, 2001
Ab initio structure of the active site of phosphotriesteraseM KraussJournal of Chemical Information and Computer Sciences|August 1, 1976
Introducing and implementing on-line bibliographic retrieval services in a scientific research and development organizationM J Ruhl, E J YeatesJournal of Chemical Information and Computer Sciences|March 30, 2001
JChemTidy: a tool for converting chemical Web document collections to an XHTML representationG V Gkoutos, P R Kenway, H S RzepaJournal of Chemical Information and Computer Sciences|March 30, 2001
Allowed boundary sequences for fused polycyclic patches and related algorithmic problemsM Deza, P W Fowler, V GrishukhinPageof 132