Marc C Nicklaus
13PUBLICATIONS
21CO-AUTHORS
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Publications (13)
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|Jun 23, 2025
SAVI Space-combinatorial encoding of the billion-size synthetically accessible virtual inventory.Malte Korn, Philip Judson, Raphael Klein
|Sep 24, 2024
Tautomeric Conflicts in Forty Small-Molecule Databases.Devendra K Dhaked, Marc C Nicklaus
|Apr 14, 2022
Exploration of Ultralarge Compound Collections for Drug Discovery.Wendy A Warr, Marc C Nicklaus, Christos A Nicolaou
|Feb 03, 2021
Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods.Sankalp Jain, Vishal B Siramshetty, Vinicius M Alves
|Dec 09, 2020
ReactionCode: format for reaction searching, analysis, classification, transform, and encoding/decoding.Victorien Delannée, Marc C Nicklaus
|Nov 12, 2020
SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules.Hitesh Patel, Wolf-Dietrich Ihlenfeldt, Philip N Judson
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Frequent Collaborators
4 joint publications
Devendra K Dhaked
4 joint publications
Matthias Rarey
3 joint publications
Victorien Delannée
3 joint publications
Philip N Judson
2 joint publications
Wolf-Dietrich Ihlenfeldt
2 joint publications
Hitesh Patel
2 joint publications
Malte Korn
2 joint publications
Wendy Warr
1 joint publications
John S Schneekloth
1 joint publications
Yuri Pevzner
