MedChem Structure Genius vs Spectromaster

MedChem Structure Genius is an interactive medicinal chemistry application that allows you to learn drug chemical structures and mode of action and test your knowledge skills. The idea behind the app is that the chemical structure can be used as a visual and semantical mark to understand binding, mode of action, side effects, bioavailability … This app is dedicated to both students and professionals in medicinal chemistry and pharmacology. It allows to browse and search for each pharmacological class and drug. Dynamic quizzes allow self-evaluation from structure to inn or reverse. Only small molecules and peptides and biochemical molecules are listed (no biologics, vaccines, …). The drug classification has been adapted from the ATC WHO classification. A continuously growing database, currently featuring hundreds of syntheses of natural products and pharmaceuticals, is now available for browsing and testing your organic chemistry skills. You can choose to start your browsing by selecting from various lists or using the search box. MedChem Structure Genius was created by Pr Rebecca Deprez-Poulain Disclaimer : MedChem Structures Genius shouldn’t be used for prescription. Indications for drug use are « general indications » and do not replace the approved indications as stated by the agencies. The data presented here does not necessarily reflect those of the company mentioned. Drugs listed may no longer be commercialized but where incorporated as key compounds for a given pharmacological class.

Spectromaster reads a spectrum from a photograph of a plot, or from an instrument's own data file, and helps you work out what your sample might be. Every measurement and every interpretation happens on the device in your hand. WHAT IT READS • ¹H and ¹³C NMR, from a photograph of a printed or on-screen plot • COSY, HSQC and HMBC correlation maps • JCAMP-DX (.jdx, .dx) and Bruker folders, at full instrument resolution • UV-Vis absorption and emission, IR, Raman and mass spectra • Boiling point, melting point, density, logP and optical rotation A vial collects every measurement of one solution — its ¹H spectrum, its IR bands, its melting point — and the app ranks reference compounds against all of them together. A compound consistent with three measurements is a far better hypothesis than one consistent with any single one. A ranked candidate list is a shortlist to check against your own data, not an identification. The reference library built into the app is small — 586 compounds. Type a SMILES string or draw a structure and get an estimated spectrum, drawn over the one you measured so you can compare them by eye. Estimates are labelled as estimates and never enter matching or scoring. No account, no login, no server, no analytics. All the reference data is compiled into the app. The only thing that can cross the network is your own records: switch on iCloud sync and your vials and their photos move between your own devices through your private iCloud database. It is off until you ask for it, we cannot read it, and the app is complete without it. FREE, AND PRO The free version keeps three solutions at a time. Pro removes the limit, and searches a shift table you supply — your group's own measurements — beside the shipped library. Reading, analysis, interpretation, refusals, export, backup and iCloud sync are identical in both versions and always will be. For laboratory interpretation by a trained operator. Not for diagnostic, forensic, safety, regulatory or GxP use. SUBSCRIPTION Spectromaster Pro — $2.99 per month, renewing automatically until cancelled. Your Apple Account is charged at confirmation and again each month unless you cancel at least 24 hours before the period ends. Manage or cancel in Settings › your name › Subscriptions. Terms of Use: https://www.apple.com/legal/internet-services/itunes/dev/stdeula/ Privacy Policy: https://qemica-lab.com/legal/spectromaster-privacy/