Chemical Informatics

Research Article: Chem Inform (2: 4)

Chaos Based Quantitative Risk Assessment of Cardiac Dysfunction

Author(s): Rajib Sarkar, Anirban Bhaduri, Susmita Bhaduri and Dipak Ghosh

DOI: 10.21767/2470-6973.100018

Abstract | Full-Text | PDF

Research Article: Chem Inform (2: 6)

Candidate Molecule Selection Based on In Silico Predicted ADMET Properties of 12 Indenoindole Derivatives

Author(s): Nathalie Guragossian, Gustavo Jabor Gozzi, Bruno Fouillet, Marie-Paule Gustin, Raphaël Terreux, Zouhair Bouaziz, Christelle Marminon, Joachim Jose, Attilio Di Pietro, Markku Pasanen and Marc Le Borgne

DOI: 10.21767/2470-6973.100020

Abstract | Full-Text | PDF

Research Article: Chem Inform (2: 7)

Validation of the Koopman's Theorem in DFT by Means of the Calculation of the Conceptual DFT Descriptors of Three Fluorescent DNA Staining Dyes

Author(s): Juan Frau, Francisco Muñoz and Daniel Glossman- Mitnik

DOI: 10.21767/2470-6973.100021

Abstract | Full-Text | PDF