Ian A. Watson

According to our database, Ian A. Watson authored at least 12 papers between 1997 and 2020.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2020

Context Aware Data-Driven Retrosynthetic Analysis.

Christos A. Nicolaou, Ian A. Watson, Mark Lemasters, Thierry Masquelin, Ji-Bo Wang

J. Chem. Inf. Model., 2020

2019

A retrosynthetic analysis algorithm implementation.

Ian A. Watson, Ji-Bo Wang, Christos A. Nicolaou

J. Cheminformatics, 2019

2016

The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space.

Christos A. Nicolaou, Ian A. Watson, Hong Hu, Ji-Bo Wang

J. Chem. Inf. Model., 2016

QSAR Model of Unbound Brain-to-Plasma Partition Coefficient, <i>K</i>_{p, uu, brain}: Incorporating P-glycoprotein Efflux as a Variable.

Elena Dolgikh, Ian A. Watson, Prashant V. Desai, Geri A. Sawada, Stuart Morton, Timothy M. Jones, Thomas J. Raub

J. Chem. Inf. Model., 2016

2015

Knowledge-Based Strategy to Improve Ligand Pose Prediction Accuracy for Lead Optimization.

Cen Gao, Nels Thorsteinson, Ian A. Watson, Ji-Bo Wang, Michal Vieth

J. Chem. Inf. Model., 2015

2011

Accelerating Two Algorithms for Large-Scale Compound Selection on GPUs.

Quan Liao, Ji-Bo Wang, Ian A. Watson

J. Chem. Inf. Model., 2011

2009

Rationalizing Lead Optimization by Associating Quantitative Relevance with Molecular Structure Modification.

John W. Raymond, Ian A. Watson, Abdelaziz Mahoui

J. Chem. Inf. Model., 2009

GPU Accelerated Support Vector Machines for Mining High-Throughput Screening Data.

Quan Liao, Ji-Bo Wang, Yue W. Webster, Ian A. Watson

J. Chem. Inf. Model., 2009

2008

Comparison of descriptor spaces for chemical compound retrieval and classification.

Nikil Wale, Ian A. Watson, George Karypis

Knowl. Inf. Syst., 2008

Indirect Similarity Based Methods for Effective Scaffold-Hopping in Chemical Compounds.

Nikil Wale, Ian A. Watson, George Karypis

J. Chem. Inf. Model., 2008

2006

ErG: 2D Pharmacophore Descriptions for Scaffold Hopping.

Nikolaus Stiefl, Ian A. Watson, Knut Baumann, Andrea Zaliani

J. Chem. Inf. Model., 2006

1997

Experimental Designs for Selecting Molecules from Large Chemical Databases.

Richard E. Higgs, Kerry G. Bemis, Ian A. Watson, James H. Wikel

J. Chem. Inf. Comput. Sci., 1997