From owner-chemistry@ccl.net Tue Jan 21 09:20:01 2020 From: "Andrea Mauri - Alvascience srl andrea.mauri(0)alvascience.com" To: CCL Subject: CCL: Alvascience new chemoinformatic software Message-Id: <-53964-200121053354-1248-UvVUswU9QLfnz0vQfj0szQ##server.ccl.net> X-Original-From: Andrea Mauri - Alvascience srl Content-Type: multipart/alternative; boundary="000000000000f2052f059ca3f04a" Date: Tue, 21 Jan 2020 11:33:11 +0100 MIME-Version: 1.0 Sent to CCL by: Andrea Mauri - Alvascience srl [andrea.mauri::alvascience.com] --000000000000f2052f059ca3f04a Content-Type: text/plain; charset="UTF-8" Dear all, I am glad to let you know that we released three new software tools: * alvaMolecule (https://www.alvascience.com/alvamolecule/) is a free software (for academic use) to visualise, analyse, curate and standardize molecular dataset. * alvaModel (https://www.alvascience.com/alvamodel/) is a software tool to create Quantitative Structure Activity/Property Relationship (QSAR/QSPR) models. The models developed using alvaModel can be easily deployed as 'alvaRunner projects'. Once a model has been deployed, it can be used by anyone via alvaRunner. * alvaRunner (https://www.alvascience.com/alvarunner/) is a free software (for academic use) to apply QSAR/QSPR regression models, developed with alvaModel, on a set of molecules. It calculates the descriptors and fingerprints needed to apply the given QSAR/QSPR regression models and it does not need any other software to be used. For more information you can consult our site where you can also find the introductory videos (also available on our YouTube channel: https://www.youtube.com/channel/UCoiZMgz4L0XT9W_YIpLb2xg). Best regards, Andrea Mauri Andrea Mauri, PhD mail - andrea.mauri=alvascience.com Alvascience srl - http://www.alvascience.com/ --- This email and any files transmitted with it are confidential and intended solely for the use of the individual or entity to whom they are addressed. If you have received this email in error please notify the system manager. This message contains confidential information and is intended only for the individual named. If you are not the named addressee you should not disseminate, distribute or copy this e-mail. Please notify the sender immediately by e-mail if you have received this e-mail by mistake and delete this e-mail from your system. If you are not the intended recipient you are notified that disclosing, copying, distributing or taking any action in reliance on the contents of this information is strictly prohibited. --000000000000f2052f059ca3f04a Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Dear all,

I am glad to let you know that we releas= ed three new software tools:
* alvaMolecule (https://www.alvascience.com/alvamolecule/) i= s a free software (for academic use) to visualise, analyse, curate and stan= dardize molecular dataset.
* alvaModel (https://www.alvascience.com/alvamodel/) is a softwar= e tool to create Quantitative Structure Activity/Property Relationship (QSA= R/QSPR) models. The models developed using alvaModel can be easily deployed= as 'alvaRunner projects'. Once a model has been deployed, it can b= e used by anyone via alvaRunner.
* alvaRunner (https://www.alvascience.com/alvarunner/) is = a free software (for academic use) to apply QSAR/QSPR regression models, de= veloped with alvaModel, on a set of molecules. It calculates the descriptor= s and fingerprints needed to apply the given QSAR/QSPR regression models an= d it does not need any other software to be used.

For more informati= on you can consult our site where you can also find the introductory videos= (also available on our YouTube channel: https://www.youtube.com/channel/UCoiZMgz= 4L0XT9W_YIpLb2xg).

Best regards,
Andrea Mauri

=
Andrea Mauri, PhD
Alvascience srl -=C2=A0http://www.alvascience.com/

---
This email and any files transmitted with= it are confidential and intended solely for the use of the individual or e= ntity to whom they are addressed. If you have received this email in error = please notify the system manager. This message contains confidential inform= ation and is intended only for the individual named. If you are not the nam= ed addressee you should not disseminate, distribute or copy this e-mail. Pl= ease notify the sender immediately by e-mail if you have received this e-ma= il by mistake and delete this e-mail from your system. If you are not the i= ntended recipient you are notified that disclosing, copying, distributing o= r taking any action in reliance on the contents of this information is stri= ctly prohibited.
<= /div>
--000000000000f2052f059ca3f04a-- From owner-chemistry@ccl.net Tue Jan 21 09:56:00 2020 From: "Daniel Tunega daniel.tunega(-)univie.ac.at" To: CCL Subject: CCL: Goldschmidt conference 2020 announcement Message-Id: <-53965-200121095201-23574-CJsGUgVCvL4fiuFFg+7lIg]^[server.ccl.net> X-Original-From: "Daniel Tunega" Date: Tue, 21 Jan 2020 09:52:00 -0500 Sent to CCL by: "Daniel Tunega" [daniel.tunega^^^univie.ac.at] ANNOUNCEMENT AND CALL FOR ABSTRACTS Goldschmidt Conference 2020 Hawaii 2020 21-26 June we are pleased to announce and to invite you to attend Session 07h Complexity of Mineral-Fluid Interfaces Perspectives from Modeling and Experiment at the Goldschmidt Conference 2020 Geochemical reactions overwhelmingly occur at interfaces, including mineral/water, mineral/air, mineral/water/gas, and mineral/electrolyte; or in confined spaces within mineral structures or nanopores. Reactions occurring at these diverse interfacial domains are central to natural and technological processes. Consequently, there is a need to quantitatively understand and predict the chemical reactivity and physical properties of interfacial and confined systems. Computational studies, particularly coupled with experimental techniques and data, are an essential approach to gain insights and understanding of reaction kinetics and mechanisms at the molecular scale, to probe systems and conditions that are difficult to examine directly, to extrapolate experimental data to broader physical and chemical conditions, and to scale from the molecular to the macroscopic. This session invites contributions that probe the structure, dynamics, and reactivity of interfaces through theoretical study, and studies integrating experimental and computation approaches. Abstract submission deadline: February 2020 More details: https://goldschmidt.info/2020/index Please circulate this announcement to your friends and colleagues. Sincerely, Moira Ridley and Daniel Tunega, session conveners daniel.tunega(_)univie.ac.at moira.ridley(_)ttu.edu