In Silico

A novel approach to generate robust predictive developmental toxicity classification models from highly unbalanced dataset and benchmarking with the reported models
Nikunjkumar K. Patel, Tata Consultancy Services Limited; Sitarama B. Gunturi, Tata Consultancy Services Limited; Ramamurthi Narayanan, Tata Consultancy Services Limited
Development Of Two-Dimensional Template System For The Prediction Of CYP2B6-Mediated Reaction Sites
Noriyuki Koyama, Otsuka Pharmaceutical Co., Ltd.; Yasushi Yamazoe, Tohoku University
Evaluation of ADMET properties predictions using the advanced in silico modeling tool ADMET Predictor
Xiaofeng Li, Abbott; Rahul Deshmukh, Abbott; Mohamad Shebley, Abbott; Sonia M. de Morais, Abbott
Factoring depth of metabolic sequence reasoning into the in silico prediction of phase II metabolism
Catherine O'Leary-Steele, Lhasa Limited; Anthony Long, Lhasa Limited
Generation of CYP2D6 Model Structures for Docking Studies to Explore Interactions with Substrates at Molecular Level
Prashant V. Desai, Eli Lilly and Company; Michael A. Mohutsky, Eli Lilly and Company
Preference prediction of site and order of human CYP2E1 metabolism
Yasushi Yamazoe, Tohoku University; Kouichi Yoshinari, Tohoku University; Kazumi Ito, Tohoku University
Quantitative Prediction of Aqueous Toxicity using Spline Based Regression Methods
Sitarama B. Gunturi, Tata Consultancy Services Limited; Jyotsna Bahl, Tata Consultancy Services Limited; Nikunjkumar K. Patel, Tata Consultancy Services Limited; Ramamurthi Narayanan, Tata Consultancy Services Limited