A Proofs of indirect pruning conditions and time complexity analysis
نویسندگان
چکیده
This Supplementary Information further describes the methods used in DEEPer by providing additional details and proofs. Section A proves the validity of the indirect pruning algorithms, Algorithms 1 (proved in A.1) and 2 (in A.2), and derives their time complexity (A.3). Section B describes some details of implementation, relating to the application of perturbations (B.1) and the choice of pruning zones for indirect pruning (B.2). A Proofs of indirect pruning conditions and time complexity analysis A.1 Proof of single-RC pruning condition Let us show the indirect pruning algorithm for pruning single RCs, algorithm 1, is correct by proving theorem 1. First of all, we must consider the DEE pruning condition for a conformation u of Z, where u is a z-tuple of RCs. We use the iMinDEE minimization-aware version [28] of Goldstein [40]'s DEE pruning condition for tuples.
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