Welcome to my home page
Hello, my name is Goutam Mukherjee. I was born in Burdwan district, West Bengal, India. I did schooling and bachelor degree in Chemistry honors from my hometown, master degree in Chemistry from Indian Institute of Technology (IIT) Bombay in the year 2007 and Ph.D. under supervision of Prof. B. Jayaram in Computational drug design/Cheminformatics from IIT Delhi in 2014. I spent around a year as a postdoctoral fellow in the research group of Prof. Yakoov (Koby) Levy, Weizmann Institute of Science, Israel and 6 months in the laboratory of Prof. Alexander MacKerell Jr., University of Maryland, Baltimore, USA and 4.5 years with Prof. Dr. Rebecca Wade, at the Heidelberg University and Heidelberg Institute of Theoretical Studies (HITS), Germany. In the year 2020, I accepted a job offer from PharmCADD, South Korea as a contract scientist position and working remotely by giving 50% of my time for the company. After a year of remote work, I relocated to Busan, Korea in October 2021 and am currently working here as a full-time employee. I have more than a decade of experience in the field of drug design/cheminformatics toolkits development and application of computer-assisted drug design and biomolecular modelling. My research interests in the field of Computational Chemistry/Cheminformatics include (i) Multiresolution modelling, (ii) Quantum-Mechanical (QM) descriptors calculation for small molecules, (iii) Functional group generation for small molecule and (iv) Machine Learning (ML) based tool developments.
On a personal basis, I give maximum priority to my task. I am willing to learn new things. My other interests include playing cricket, traveling, watching movies, and listening talks/attending conference related to Molecular modelling, Organic, Organometallic and Bioinorganic chemistry, Cosmology, AI-based modelling of human consciousness, Advaita Vedanta and Upanishad.
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Example Code for regression analysis can be found here
Example code for heatmap plot between all parameters, i.e.; Independent (features/descriptors) + Dependent (observable property, e.g.; Delta(G)) variables can be found here
Code for regression line plot can be found here
To save an image: Shift + Right click
Data set: RASPD+ training data
An overview about K-nearest neighbors (KNN) method
Reference for jupyterlite: