Software
RExIL - Risk Explorer for Ionic Liquids
RExIL version 1.0 software is a freely available standalone tool, which is exclusively developed for evaluating the risk and fate of newly designed (and already known) ionic liquids. This software package consist of three unique modules:
- Property Predictor
- Virtual Screener,
- Fate Predictor.
All these modules work on a knowledge-rich database (knowledge base), which comprises 28 QSTR/QSPR models that encode several eco-toxicity, cytotoxicity and physicochemical endpoints. Along with these modules, one can also execute and employ two widely used open-source standalone software tools, i.e, JChemPaint version 3.3 (a chemical structure editor) and PaDEL-Descriptors version 2.21 (a descriptor calculating software) and a 'Universal SMILES Generator' tool | Manual | Download
Java software
- AM-MDI 1.2 – Applicability domain-Model Disturbance Index Tool | Manual | Download
- Genetic Algorithm 1.4 – A QSAR model development tool | Manual | Download
- Modified K-Medoids 1.2 – A Clustering Tool | Manual | Download
- NanoProfiler 1.2 – Endpoint-dependent analogues identification software | Manual | Download
- S-MLR 1.2 – A variable selection tool | Manual | Download
- vWSP 1.2 – A Data Pre-Treatment Tool | Manual | Download
C++ software
- Elemental-Descriptor 1.0 – (Metal, Nonmetal, Semimetal) | Manual | Download
- Euclidean Based Kennard-Stone 1.0 | Manual | Download
- Euclidean-Distance 1.0 (ED) | Manual | Download
- Mahalanobis-Distance 1.0 (MD) | Manual | Download
- MODelability Index 1.0 (MODI) | Manual | Download
- Mahalanobis Distance Based Kennard-Stone 1.0 (MDKS) | Manual | Download
- Standardize 1.0 | Manual | Download