Search Result "atom descriptors"
Atomic Electrostatic Potential as a Descriptor of Aminolysis of Phenyl andThiophenyl Acetates and Hydrolysis of Acetanilides
Journal: Letters in Organic Chemistry
Volume: 21 Issue: 8 Year: 2024 Page: 727-735
Author(s):
OCWLGI Descriptors: Theory and Praxis
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 226-232
Author(s): Andrey A. Toropov,Alla P. Toropova,Emilio Benfenati,Giuseppina Gini
The Influence of Hydrogen Atoms on the Performance of Radial Distribution Function-Based Descriptors in the Chemoinformatic Studies of HIV-1 Protease Complexes with Inhibitors
Journal: Current Drug Discovery Technologies
Volume: 18 Issue: 3 Year: 2021 Page: 414-422
Author(s): Jurica Novak,Maria A. Grishina,Vladimir A. Potemkin
Recent Advances in the Assessment of Druglikeness Using 2DStructural Descriptors
Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Hariharan Rajesh,Lakshminarasimhan Rajagopalan,Vellarkad N. Viswanadhan
Doi: 10.2174/9781608059287114010015
Building a Chemical Space Based on Fragment Descriptors
Ebook: Advances in Combinatorial Chemistry & High Throughput Screening
Volume: 1 Year: 2013
Author(s): Igor I. Baskin,Alexandre Varnek
Doi: 10.2174/9781608057450113010005
Building a Chemical Space Based on Fragment Descriptors
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 11 Issue: 8 Year: 2008 Page: 661-668
Author(s): Igor Baskin, Alexandre Varnek
Recent Advances in the Assessment of Druglikeness Using 2D-Structural Descriptors
Ebook: Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition)
Volume: 1 Year: 2015
Author(s): Hariharan Rajesh,Lakshminarasimhan Rajagopalan,Vellarkad N. Viswanadhan
Doi: 10.2174/9781681081977115010016
QSAR of Chalcones Utilizing Theoretical Molecular Descriptors
Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 184-193
Author(s): Sisir Nandi,Manish C. Bagchi
Identification of Anticancer and Anti-inflammatory Drugs from DrugtargetInteraction Descriptors by Machine Learning
Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 9 Year: 2022 Page: 800-810
Author(s):
On the Application of Conceptual Density Functional Theory to Atomic and Molecular Domain
Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 85-93
Author(s): Nazmul Islam