Полынский М. В. Towards Artificial Intelligence in Chemistry via the Rational Design Lecture 7

Chemical Structure and Molecular Descriptors 00:00:20 Introduction 00:01:22 Features and Types of Descriptors 00:16:00 QTAIM and Electronic Effect 00:21:01 STERIMOL Descriptors 00:25:39 Tolman Cone Angle 00:31:01 ECFPs 00:36:31 Molecular Van der Waals Surface 00:42:31 McGovan Molecular Volume 00:47:21 Additivity of Atomic and Functional Group Properties 00:50:12 3D PSA and TopoPSA 00:55:12 logP and Molecular Orbitals 01:07:55 Molecular Dipole and Polar Environment 01:10:47 Multipole Expansion and Molecular Graph 01:21:47 Good Descriptor Ссылка на плейлист: