NanoBRIDGES

Building bridges between specialists on computational and empirical risk assessment of engineered nanomaterials

Rahul Balasaheb Aher (JU) at University of Gdansk, Poland


Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 1384

Warning: preg_match_all(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 700

Warning: Invalid argument supplied for foreach() in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 707

Warning: preg_match_all(): Compilation failed: invalid range in character class at offset 4 in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 700

Warning: Invalid argument supplied for foreach() in /home/dkwdbpvy/domains/nanobridges.eu/public_html/wp-content/plugins/lightbox-plus/classes/shd.class.php on line 707

I have visited the University of GdanDSC02986sk, Poland for seven months (14.05.2014-12.12.2014) in connection with the NanoBridges Work Package-3 (Development of novel structural descriptors for nanoparticles). I have built the 7 standalone and open accessible C++ programs for the nano-QSAR modeling work. The programs are free for all (eg. Personal, academic, non-profit, non-commercial, govt, commercial etc) to use.

 

 

The developed programs are as follows:

  1. Elemental Descriptors : Program for the computation of nano-descriptors for metal, nonmetal and semimetals
  2. Modelability Index: To check modelability of the dataset for nano-QSAR model development
  3. Mahalanobis distance-based Kennard-Stone (MDKS): For rational division of dataset into training and test set based on the Mahalanobis distance.
  4. Mahalanobis Distance: For detection of outliers.
  5. Euclidean distance-based Kennard-Stone (EDKS): For rational division of dataset into training and test set based on the Euclidean distance.
  6. Euclidean distance: For rational division of dataset and for diversity validation.
  7. Standardize: For scaling of dataset/descriptor matrix

The journey was really a memorable and fruitful. I thank Prof. Tomasz Puzyn and Dr. Agnieszka Gajewicz for providing me an opportunity to contribute in this project. Also to all the lab members for their kind help and cooperation.

 

Coordinator

University of Gdansk
Faculty of Chemistry
ul. Wita Stwosza 63
80-952 Gdansk

European Commision