BigSMILES: A Structurally-Based Line Notation for Describing Macromolecules

Having a compact yet robust structurally based identifier or representation system is a key enabling factor for efficient sharing and dissemination of research results within the chemistry community, and such systems lay down the essential foundations for future informatics and data-driven research....

وصف كامل

التفاصيل البيبلوغرافية
المؤلفون الرئيسيون: Lin, Tzyy-Shyang, Coley, Connor Wilson, Mochigase, Hidenobu, Beech, Haley K., Wang, Wencong, Wang, Zi, Woods, Eliot, Craig, Stephen L., Johnson, Jeremiah A., Kalow, Julia A., Jensen, Klavs F, Olsen, Bradley D
مؤلفون آخرون: Massachusetts Institute of Technology. Department of Chemical Engineering
التنسيق: مقال
اللغة:English
منشور في: American Chemical Society (ACS) 2020
الوصول للمادة أونلاين:https://hdl.handle.net/1721.1/125663