Mahendra Awale

19 papers Journal 19

Year	Rank	Type	Title / Venue / Authors
2021	J	`jnl`	The Playbooks of Medicinal Chemistry Design Moves. J. Chem. Inf. Model. Mahendra Awale, Jérôme Hert, Laura Guasch, Sereina Riniker, Christian Kramer
2020	J	`jnl`	Matched Molecular Series Analysis for ADME Property Prediction. J. Chem. Inf. Model. Mahendra Awale, Sereina Riniker, Christian Kramer
2019	J	`jnl`	Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks. J. Chem. Inf. Model. Mahendra Awale, Finton Sirockin, Nikolaus Stiefl, Jean-Louis Reymond
2019	J	`jnl`	Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning. J. Chem. Inf. Model. Mahendra Awale, Jean-Louis Reymond
2017	J	`jnl`	Fragment Database FDB-17. J. Chem. Inf. Model. Ricardo Visini, Mahendra Awale, Jean-Louis Reymond
2017	J	`jnl`	Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits. J. Chem. Inf. Model. Víctor Sebastián-Pérez, Carlos Roca, Mahendra Awale, Jean-Louis Reymond, Ana Martínez, Carmen Gil, Nuria E. Campillo
2017	J	`jnl`	The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data. J. Cheminformatics Mahendra Awale, Jean-Louis Reymond
2017	J	`jnl`	Virtual Exploration of the Ring Systems Chemical Universe. J. Chem. Inf. Model. Ricardo Visini, Josep Arús-Pous, Mahendra Awale, Jean-Louis Reymond
2017	J	`jnl`	WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces. J. Chem. Inf. Model. Mahendra Awale, Daniel Probst, Jean-Louis Reymond
2016	J	`jnl`	Web-based 3D-visualization of the DrugBank chemical space. J. Cheminformatics Mahendra Awale, Jean-Louis Reymond
2015	J	`jnl`	PDB-Explorer: a web-based interactive map of the protein data bank in shape space. BMC Bioinform. Xian Jin, Mahendra Awale, Michaël Zasso, Daniel Kostro, Luc Patiny, Jean-Louis Reymond
2015	J	`jnl`	Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces. J. Chem. Inf. Model. Mahendra Awale, Jean-Louis Reymond
2015	J	`jnl`	Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints. J. Cheminformatics Mahendra Awale, Xian Jin, Jean-Louis Reymond
2014	J	`jnl`	"Social" Network of Isomers Based on Bond Count Distance: Algorithms. J. Chem. Inf. Model. Tina M. Kouri, Mahendra Awale, James K. Slyby, Jean-Louis Reymond, Dinesh P. Mehta
2014	J	`jnl`	A multi-fingerprint browser for the ZINC database. Nucleic Acids Res. Mahendra Awale, Jean-Louis Reymond
2014	J	`jnl`	Atom Pair 2D-Fingerprints Perceive 3D-Molecular Shape and Pharmacophores for Very Fast Virtual Screening of ZINC and GDB-17. J. Chem. Inf. Model. Mahendra Awale, Jean-Louis Reymond
2014	J	`jnl`	Expanding the fragrance chemical space for virtual screening. J. Cheminformatics Lars Ruddigkeit, Mahendra Awale, Jean-Louis Reymond
2013	J	`jnl`	MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13. J. Chem. Inf. Model. Mahendra Awale, Ruud van Deursen, Jean-Louis Reymond
2013	J	`jnl`	SMIfp (SMILES fingerprint) Chemical Space for Virtual Screening and Visualization of Large Databases of Organic Molecules. J. Chem. Inf. Model. Julian Schwartz, Mahendra Awale, Jean-Louis Reymond