Christian Tyrchan
Christian Tyrchan
Director Computational Chemistry, BioPharmaceuticals R&D, Early R&I, AstraZeneca üzerinde doğrulanmış e-posta adresine sahip
Alıntı yapanlar
Alıntı yapanlar
Generating focused molecule libraries for drug discovery with recurrent neural networks
MHS Segler, T Kogej, C Tyrchan, MP Waller
ACS central science 4 (1), 120-131, 2018
Recent developments of the chemistry development kit (CDK)-an open-source java library for chemo-and bioinformatics
C Steinbeck, C Hoppe, S Kuhn, M Floris, R Guha, EL Willighagen
Current pharmaceutical design 12 (17), 2111-2120, 2006
Structural and conformational determinants of macrocycle cell permeability
B Over, P Matsson, C Tyrchan, P Artursson, BC Doak, MA Foley, ...
Nature chemical biology 12 (12), 1065-1074, 2016
Randomized SMILES strings improve the quality of molecular generative models
J Arús-Pous, SV Johansson, O Prykhodko, EJ Bjerrum, C Tyrchan, ...
Journal of cheminformatics 11 (1), 1-13, 2019
Making every SAR point count: the development of Chemistry Connect for the large-scale integration of structure and bioactivity data
S Muresan, P Petrov, C Southan, MJ Kjellberg, T Kogej, C Tyrchan, ...
Drug Discovery Today 16 (23-24), 1019-1030, 2011
Structural analysis and prediction of protein mutant stability using distance and torsion potentials: role of secondary structure and solvent accessibility
V Parthiban, MM Gromiha, C Hoppe, D Schomburg
Proteins: Structure, Function, and Bioinformatics 66 (1), 41-52, 2007
Comparison of molecular fingerprint methods on the basis of biological profile data
A Steffen, T Kogej, C Tyrchan, O Engkvist
Journal of chemical information and modeling 49 (2), 338-347, 2009
Matched molecular pair analysis in short: algorithms, applications and limitations
C Tyrchan, E Evertsson
Computational and structural biotechnology journal 15, 86-90, 2017
Prediction of protein thermostability with a direction‐and distance‐dependent knowledge‐based potential
C Hoppe, D Schomburg
Protein Science 14 (10), 2682-2692, 2005
Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks
PC Kotsias, J Arús-Pous, H Chen, O Engkvist, C Tyrchan, EJ Bjerrum
Nature Machine Intelligence 2 (5), 254-265, 2020
Annotated chemical patent corpus: a gold standard for text mining
SA Akhondi, AG Klenner, C Tyrchan, AK Manchala, K Boppana, D Lowe, ...
PloS one 9 (9), e107477, 2014
SMILES-based deep generative scaffold decorator for de-novo drug design
J Arús-Pous, A Patronov, EJ Bjerrum, C Tyrchan, JL Reymond, H Chen, ...
Journal of cheminformatics 12, 1-18, 2020
Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds
C Tyrchan, N Blomberg, O Engkvist, T Kogej, S Muresan
Bioorganic & medicinal chemistry letters 19 (24), 6943-6947, 2009
Intramolecular hydrogen bond expectations in medicinal chemistry
F Giordanetto, C Tyrchan, J Ulander
ACS medicinal chemistry letters 8 (2), 139-142, 2017
REINVENT 2.0: an AI tool for de novo drug design
T Blaschke, J Arús-Pous, H Chen, C Margreitter, C Tyrchan, O Engkvist, ...
Journal of Chemical Information and Modeling 60 (12), 5918-5922, 2020
Theoretical studies of chemical reactivity of metabolically activated forms of aromatic amines toward DNA
I Shamovsky, L Ripa, N Blomberg, LA Eriksson, P Hansen, C Mee, ...
Chemical research in toxicology 25 (10), 2236-2252, 2012
Follow-on drugs: How far should chemists look?
F Giordanetto, J Boström, C Tyrchan
Drug discovery today 16 (15-16), 722-732, 2011
Classification and comparison of ligand-binding sites derived from grid-mapped knowledge-based potentials
C Hoppe, C Steinbeck, G Wohlfahrt
Journal of Molecular Graphics and Modelling 24 (5), 328-340, 2006
Binding mode and induced fit predictions for prospective computational drug design
C Grebner, J Iegre, J Ulander, K Edman, A Hogner, C Tyrchan
Journal of chemical information and modeling 56 (4), 774-787, 2016
A class of highly selective inhibitors bind to an active state of PI3Kγ
G Gangadhara, G Dahl, T Bohnacker, R Rae, J Gunnarsson, S Blaho, ...
Nature chemical biology 15 (4), 348-357, 2019
Sistem, işlemi şu anda gerçekleştiremiyor. Daha sonra yeniden deneyin.
Makaleler 1–20