From polowin@hyper.hyper.com Tue Feb 13 14:58:06 1996 Received: from www.hyper.com for polowin@hyper.hyper.com by www.ccl.net (8.6.10/950822.1) id OAA01634; Tue, 13 Feb 1996 14:55:38 -0500 Received: from hyper.hyper.com (hyper.hyper.com [204.50.97.9]) by www.hyper.com (8.6.12/8.6.12) with SMTP id PAA29094; Tue, 13 Feb 1996 15:06:14 -0500 Received: by hyper.hyper.com (920330.SGI/920502.SGI) for @www.hyper.com:chemistry@www.ccl.net id AA13645; Tue, 13 Feb 96 15:06:10 -0500 Date: Tue, 13 Feb 96 15:06:10 -0500 From: polowin@hyper.hyper.com (Joel Polowin) Message-Id: <9602132006.AA13645@hyper.hyper.com> To: Jauoad El Bahraoui , chemistry@www.ccl.net Subject: Re: CCL:logP > Date: Mon, 12 Feb 1996 14:55:44 +0000 (WET) > From: Jauoad El Bahraoui > > Please tell me about programs does permit the calculation of the > partition coefficients octanol-water (logP) ? Our ChemPlus software, working in conjunction with HyperChem, can do these calculations. It uses the methods of Ghose, Pritchett and Crippen [_J. Comp. Chem._ *9*, 80 (1988)] and Ghose _et al._ [_J. Chem. Inf. Comput. Sci._ *29*, 163 (1989)]. I can send more information about our products on request, or see our WWW page, http://www.hyper.com . Joel ------------ Joel Polowin, Ph.D. Manager, Scientific Support Email to: polowin@hyper.com Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040 Info requests to: info@hyper.com Support questions to: support@hyper.com Email group: Send "subscribe hyperchem" to hyperchem-request@hyper.com WWW: http://www.hyper.com/ From owner-chemistry@ccl.net Tue Feb 13 15:43:04 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.6.10/950822.1) id PAA02090; Tue, 13 Feb 1996 15:34:28 -0500 Received: from punch.ic.ac.uk for h.rzepa@ic.ac.uk by bedrock.ccl.net (8.7.1/950822.1) id PAA23009; Tue, 13 Feb 1996 15:31:11 -0500 (EST) Received: from judy.ic.ac.uk by punch.ic.ac.uk with SMTP (PP); Tue, 13 Feb 1996 19:25:38 +0000 Received: from cscmgb.cc.ic.ac.uk (sg1.cc.ic.ac.uk [155.198.63.8]) by judy.ic.ac.uk (8.7.3/8.7.3) with SMTP id TAA11230 for ; Tue, 13 Feb 1996 19:25:09 GMT Received: from [155.198.224.86] by cscmgb.cc.ic.ac.uk (940816.SGI.8.6.9/4.0) id TAA15054; Tue, 13 Feb 1996 19:25:08 GMT Date: Tue, 13 Feb 1996 19:25:08 GMT X-Sender: rzepa@155.198.63.8 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: CHEMISTRY@ccl.net From: h.rzepa@ic.ac.uk (Rzepa, Henry) Subject: ECHET96 ECHET96: Electronic Conference on Heterocyclic Chemistry. An Electronic conference for discussing Heterocyclic Chemistry will be held from 24 June - 22 July 1996, Both the World-Wide Web and electronic mail will serve as delivery mechanisms. The meeting is a joint collaboration between the International Society for Heterocyclic Chemistry and the Royal Society of Chemistry Perkin Division Heterocyclic Group. The latter two groups normally organize an international conference every two years. In 1996, it was decided to sponsor an electronic conference in the alternate year between face-to-face meetings, following the success of the ECTOC (Electronic Trends in Organic Chemistry) conference last June. We suspect you will find this format both chemically compelling and surprisingly easy to use. Perhaps, collaborations that result from participating in ECHET96 can be followed up at the face-to-face 1997 meeting! With the exception that reported work is expected to have some relationship to heterocyclic chemistry, no limitations are placed on the scientific content of accepted papers. For example, we anticipate contributions from synthesis, combinatorial and medicinal chemistries, organometallics, spectroscopy, structure elucidation, computational chemistry and combinations of these topics. In a continuation of the ECTOC spirit, a "best-poster" prize will be awarded. Please encourage graduate students and all co-workers to contribute to this conference in order to make it a success we can build on. Keynote Plenary Contributions will include work from the following Research Groups: 1. Clayton Heathcock (Berkeley) 2. Philip Magnus (Texas at Austin) 3. Ken Houk (UCLA) 4. Victor Snieckus (Guelph-Waterloo) 5. Hisashi Yamamoto (Tohoku) 6. Eiichi Nakamura (Tokyo) 7. Daniel Comins (North Carolina) 8. Laurence Harwood (Reading) 9. Donald Craig (Imperial College) 10. Reinhard Neier (Neuchatel) 11. James Coxon (Canterbury, NZ) ECHET96 will continue the innovative style introduced with ECTOC-1 in offering a low cost and near-instant mechanism for discussing chemistry, with features such as full color structure diagrams, "clickable" or editable reaction schemes, rotatable 3D molecular images, index searches of conference proceedings, contributed discussions by participants, a conference "molecular hyperglossary", up to date access statistics for articles, photographs submitted by participants and a prize for the "best poster". We are inviting you to consider contributing an article or poster to this event. The deadline for submitting an abstract is April 26th. Further details can be obtained using any of the following procedures; 1. Connecting to the following World-Wide Web location; http://www.ch.ic.ac.uk/ectoc/echet96/ We hope to have an American mirror up shortly 2. Sending an electronic mail message to listserver@ic.ac.uk containing the single line (no signatures please) info echet96 3. Subscribing to the electronic mail list by sending a message to listserver@ic.ac.uk containing the single line (no signatures please); subscribe echet96 your name During the conference period of 24 June to 22 July 1966, postings to this forum will primarily involve dialog around the papers (Q's, A's, comments). Outside the conference period, we expect postings to be restricted to information about the event only. Discussion will be by e-mail (we find this works best across a range of time zones) by posting messages to echet96@ic.ac.uk At the end of the conference, we anticipate a CD-ROM will be produced that incorporates articles and posters, electronic discussions around them and other useful materials. (See, however, the ECHET96 home page for information directed to authors who do not choose to leave a permanent record.) The first CD of this type which captures the ECTOC experience will be available shortly. Please connect to http://www.ch.ic.ac.uk/ectoc/ for details on how to acquire the disk. We invite you to take part either as a presenter or a socractic participant in this new and evolving format. In either case, we look forward to having you join us on this "off-year" Heterocyclic Conference. Henry Rzepa; Jim Snyder; Ray Jones, Chris Moody and Albert Padwa Executive Committee of ECHET96 Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/