DataWarrior: an evaluation of the open-source drug discovery tool

In silico study of Moxifloxacin derivatives with possible antibacterial activity against a resistant form of DNA gyrase from Porphyromonas gingivalis

(2018) Cristian Rocha-Roa et al.   ARCHIVES OF ORAL BIOLOGY

Anti-cancer study and whey protein complexation of new lanthanum(III) complex with the aim of achieving bioactive anticancer metal-based drugs

(2018) Somaye Shahraki et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Materials Informatics

(2018) Hanoch Senderowitz et al.   Journal of Chemical Information and Modeling

Activity Landscape and Molecular Modeling to Explore the SAR of Dual Epigenetic Inhibitors: A Focus on G9a and DNMT1

(2018) Edgar López-López et al.   MOLECULES

A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications

(2018) Domenico Gadaleta et al.   Journal of Cheminformatics

Diversity-Oriented Synthesis and Chemoinformatic Analysis of the Molecular Diversity of sp3-Rich Morpholine Peptidomimetics

(2018) Elena Lenci et al.   Frontiers in Chemistry

WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces

(2017) Mahendra Awale et al.   Journal of Chemical Information and Modeling

Platform for Unified Molecular Analysis: PUMA

(2017) Mariana González-Medina et al.   Journal of Chemical Information and Modeling

Activity Landscape Plotter: A Web-Based Application for the Analysis of Structure–Activity Relationships

(2017) Mariana González-Medina et al.   Journal of Chemical Information and Modeling

Chembench: A Publicly Accessible, Integrated Cheminformatics Portal

(2017) Stephen J. Capuzzi et al.   Journal of Chemical Information and Modeling

Chemoinformatics: a perspective from an academic setting in Latin America

(2017) J. Jesús Naveja et al.   MOLECULAR DIVERSITY

Open chemoinformatic resources to explore the structure, properties and chemical space of molecules

(2017) Mariana González-Medina et al.   RSC Advances

A Short Review of the Generation of Molecular Descriptors and Their Applications in Quantitative Structure Property/Activity Relationships

(2016) Sagarika Sahoo et al.   Current Computer-Aided Drug Design

Prioritization of anti-malarial hits from nature: chemo-informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti-malarial drugs

(2016) Samuel Ayodele Egieyeh et al.   MALARIA JOURNAL

Materials Informatics: Statistical Modeling in Material Science

(2016) Abraham Yosipof et al.   Molecular Informatics

Progress in visual representations of chemical space

(2015) Dmitry I Osolodkin et al.   Expert Opinion on Drug Discovery

DataWarrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis

(2015) Thomas Sander et al.   Journal of Chemical Information and Modeling

One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade

(2013) Bruno O. Villoutreix et al.   DRUG DISCOVERY TODAY

Chemical Name to Structure: OPSIN, an Open Source Solution

(2011) Daniel M. Lowe et al.   Journal of Chemical Information and Modeling

Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments

(2010) Madhavi Sastry et al.   Journal of Chemical Information and Modeling

Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods

(2010) Jianxin Duan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Flexophore, a New Versatile 3D Pharmacophore Descriptor That Considers Molecular Flexibility

(2008) Modest von Korff et al.   Journal of Chemical Information and Modeling